CAS No.: 1392-21-8 — Leucomycin V (吉它霉素)

1. Primary Information

English name:	Leucomycin V
CAS No.:	1392-21-8
Molecular formula:	C₃₅H₅₉NO₁₃
Molecular weight:	701.8 g/mol
SMILES:	CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)O)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)O
Structural class:
Other identifiers:	Kitasamycin Leucomycin

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in methanol	464	2-8℃	in stock	-
Kehua Intelligence	50mg	90%	326	2-8℃	in stock	-
Kehua Intelligence	1g	效价≥1300U/MG	100	2-8℃	in stock	-
Kehua Intelligence	5g	效价≥1300U/MG	360	2-8℃	in stock	-
Kehua Intelligence	25g	效价≥1300U/MG	960	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 108110 0 1 0 0 0 0 0999 V2000 1.0384 -1.4394 0.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5681 -0.4898 -0.0024 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9582 -0.2656 -0.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8518 0.6710 1.6185 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5385 2.0977 -0.6101 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0426 -0.6661 -1.4796 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4096 -0.8441 -3.4214 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7102 1.3883 -0.5687 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2629 1.7211 -3.3311 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4290 -2.2853 3.5643 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2827 -3.9128 -3.2567 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7155 2.6618 0.0138 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8038 4.2078 -1.4325 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2520 2.0849 0.5817 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6211 0.9550 -0.1101 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2075 -0.3688 0.4032 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1012 0.9974 0.1023 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4233 -1.5598 -0.1629 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4391 -0.2830 -0.4152 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6998 -0.9916 -1.1037 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8961 -1.7039 -0.3939 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4368 -0.6005 1.1204 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6286 -0.7673 -0.1780 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6443 -1.4757 0.7699 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9432 0.6397 0.3686 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0129 -0.0542 -2.2951 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3379 -2.6686 0.6992 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6613 1.4152 0.7042 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9149 -2.8853 0.4113 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3275 -3.5758 1.4850 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7916 -2.4503 -1.3873 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0821 1.0375 -2.0802 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8957 -1.6095 -0.3484 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6510 2.2712 1.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1278 3.3014 -0.2175 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9731 2.7554 1.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2282 -2.8704 2.5375 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5065 -4.6731 2.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7019 2.0857 -1.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0467 -3.5320 -2.1151 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1941 -1.8796 1.9455 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3061 -1.5486 -3.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7887 3.1251 -0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4100 -0.6277 2.3779 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7884 3.5317 0.4500 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.2059 0.3153 1.6291 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8979 2.6340 1.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3338 1.6043 1.9772 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2523 4.5275 1.4767 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8552 1.0191 -1.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0948 -0.4082 1.4941 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7855 1.0733 1.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5346 -1.6105 -1.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5892 -0.3251 -1.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0566 -1.8097 -1.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4868 -0.9310 0.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9304 -1.1167 1.9455 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1726 -1.7205 1.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2955 -2.4111 0.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5375 0.5370 1.2866 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1035 0.4892 -2.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7846 -2.0662 1.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5672 -3.3058 0.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0901 1.6227 -0.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8399 -2.8922 1.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2888 -3.7091 0.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9494 -3.0935 0.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9769 -4.0994 0.7748 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6303 -2.9275 -0.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2408 -1.7716 -2.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0514 0.5871 -1.8436 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5588 -1.1844 -1.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4521 -1.6955 0.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6479 -2.6206 -0.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7566 1.9902 -1.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3047 2.9411 2.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5977 1.3579 2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6724 2.7656 1.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7813 4.0721 0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1239 3.7322 -0.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4805 3.1482 -1.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0459 3.2726 1.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5527 3.4076 0.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5315 2.6110 2.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8365 -3.6405 3.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8113 -1.5623 -1.7778 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7765 -4.2463 2.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1597 -5.3496 2.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9599 -5.2781 1.4593 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4978 1.6467 -0.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8051 2.6321 -1.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5883 0.9767 -0.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3131 -4.1046 -1.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4131 2.1258 -3.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7303 -2.2258 1.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4786 -0.8706 -4.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9497 -2.3645 -3.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6337 -1.9968 -4.9045 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9085 -1.5631 3.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9019 -0.2546 3.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1938 4.0737 -0.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6055 -0.0224 0.6756 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4035 2.1278 0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6582 3.2343 1.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9123 1.9643 2.9122 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7308 4.0203 2.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5208 5.1997 1.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0586 5.1384 1.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 16 1 0 0 0 0 2 22 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 4 22 1 0 0 0 0 4 28 1 0 0 0 0 5 17 1 0 0 0 0 5 75 1 0 0 0 0 6 23 1 0 0 0 0 6 86 1 0 0 0 0 7 26 1 0 0 0 0 7 42 1 0 0 0 0 8 25 1 0 0 0 0 8 92 1 0 0 0 0 9 32 1 0 0 0 0 9 94 1 0 0 0 0 10 37 1 0 0 0 0 10 99 1 0 0 0 0 11 40 2 0 0 0 0 12 43 1 0 0 0 0 12 45 1 0 0 0 0 13 43 2 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 50 1 0 0 0 0 16 18 1 0 0 0 0 16 51 1 0 0 0 0 17 19 1 0 0 0 0 17 52 1 0 0 0 0 18 29 1 0 0 0 0 18 53 1 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 20 26 1 0 0 0 0 20 55 1 0 0 0 0 21 27 1 0 0 0 0 21 31 1 0 0 0 0 21 56 1 0 0 0 0 22 24 1 0 0 0 0 22 57 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 33 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 28 1 0 0 0 0 25 60 1 0 0 0 0 26 32 1 0 0 0 0 26 61 1 0 0 0 0 27 30 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 28 36 1 0 0 0 0 28 64 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 30 37 1 0 0 0 0 30 38 1 0 0 0 0 30 68 1 0 0 0 0 31 40 1 0 0 0 0 31 69 1 0 0 0 0 31 70 1 0 0 0 0 32 39 1 0 0 0 0 32 71 1 0 0 0 0 33 72 1 0 0 0 0 33 73 1 0 0 0 0 33 74 1 0 0 0 0 34 76 1 0 0 0 0 34 77 1 0 0 0 0 34 78 1 0 0 0 0 35 79 1 0 0 0 0 35 80 1 0 0 0 0 35 81 1 0 0 0 0 36 82 1 0 0 0 0 36 83 1 0 0 0 0 36 84 1 0 0 0 0 37 41 1 0 0 0 0 37 85 1 0 0 0 0 38 87 1 0 0 0 0 38 88 1 0 0 0 0 38 89 1 0 0 0 0 39 43 1 0 0 0 0 39 90 1 0 0 0 0 39 91 1 0 0 0 0 40 93 1 0 0 0 0 41 44 2 0 0 0 0 41 95 1 0 0 0 0 42 96 1 0 0 0 0 42 97 1 0 0 0 0 42 98 1 0 0 0 0 44 46 1 0 0 0 0 44100 1 0 0 0 0 45 47 1 0 0 0 0 45 49 1 0 0 0 0 45101 1 0 0 0 0 46 48 2 0 0 0 0 46102 1 0 0 0 0 47 48 1 0 0 0 0 47103 1 0 0 0 0 47104 1 0 0 0 0 48105 1 0 0 0 0 49106 1 0 0 0 0 49107 1 0 0 0 0 49108 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde

4.2 InChI

InChI=1S/C35H59NO13/c1-19-16-23(14-15-37)31(32(44-8)25(39)17-26(40)45-20(2)12-10-9-11-13-24(19)38)49-34-29(41)28(36(6)7)30(21(3)47-34)48-27-18-35(5,43)33(42)22(4)46-27/h9-11,13,15,19-25,27-34,38-39,41-43H,12,14,16-18H2,1-8H3/b10-9+,13-11+/t19-,20-,21-,22+,23+,24+,25-,27+,28-,29-,30-,31+,32+,33+,34+,35-/m1/s1

4.3 InChIKey

XYJOGTQLTFNMQG-KJHBSLKPSA-N

4.4 Canonical SMILES

CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)O)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)O

4.5 Isomeric SMILES

C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)O

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)