CAS No.: 78574-94-4 — Cycloastragenol (环黄芪醇)

1. Primary Information

English name:	Cycloastragenol
CAS No.:	78574-94-4
Molecular formula:	C₃₀H₅₀O₅
Molecular weight:	490.7 g/mol
SMILES:	CC1(C(CCC23C1C(CC4C2(C3)CCC5(C4(CC(C5C6(CCC(O6)C(C)(C)O)C)O)C)C)O)O)C
Structural class:
Other identifiers:	astramembrangenin cycloastragenol cyclogalegigenin GRN510

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Purchase	Storage conditions	Lead time	Notes
Kehua Intelligence	5mg	HPLC≥99%	320	Buy now	2-8℃	in stock	-
Kehua Intelligence	25mg	97%	80	Buy now	2-8℃	in stock	-
Kehua Intelligence	100mg	97%	152	Buy now	2-8℃	in stock	-
Kehua Intelligence	250mg	97%	304	Buy now	2-8℃	in stock	-
Kehua Intelligence	1g	97%	776	Buy now	2-8℃	in stock	-
Kehua Intelligence	20mg	HPLC≥98%	160	Buy now	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 85 90 0 1 0 0 0 0 0999 V2000 4.5549 2.3561 -1.2924 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8243 3.4261 0.6737 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1627 -2.0310 1.7886 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9696 -0.6262 0.8935 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1545 -1.9649 -1.5715 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5370 -0.3771 0.1298 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0091 -0.8547 0.0011 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3980 -0.6138 1.3576 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2113 1.1067 -0.1628 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0868 0.0995 -0.5296 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2526 1.3104 -0.6339 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4372 -1.4110 -0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2105 0.5174 0.3176 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2837 -2.3062 -0.3824 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2558 1.7424 -1.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6597 1.5815 -0.4998 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0251 -0.9822 0.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5057 -0.2311 0.0996 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6029 1.0846 -0.0862 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7927 2.7460 -0.4626 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7799 -2.6156 -0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3255 2.5882 -0.3576 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6121 -1.7556 0.4608 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3953 0.9522 -2.1457 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9718 0.7783 1.8364 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7684 0.8019 0.8649 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8276 0.6343 1.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6049 0.0605 -0.9568 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0779 1.4096 0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4260 1.2750 2.2745 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6495 0.3006 -0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2433 -0.9291 0.3007 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1293 -2.1821 -0.5455 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4628 -2.5221 -1.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6444 -3.3683 0.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7268 0.2412 1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1707 -1.4652 1.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3143 1.6516 0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1686 -0.1475 -1.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6040 -2.3131 0.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5448 -1.7453 -1.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8108 -2.5316 -1.3454 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8407 -2.9876 0.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2411 1.2928 -2.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0350 2.8077 -1.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 1.9840 0.5184 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5966 -1.2987 -0.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4475 -1.5678 0.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8632 0.6228 -1.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5264 3.3997 -1.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3889 3.2244 0.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9295 -3.6795 -0.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1158 -2.4623 -1.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8082 2.8872 -1.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6561 -2.0885 0.4131 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4305 0.9515 -2.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1246 1.6882 -2.7703 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0268 -0.0237 -2.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0732 0.5644 2.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0546 1.8180 2.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4435 0.0403 2.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0536 0.5538 2.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9296 1.6932 1.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7788 0.3296 1.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6574 1.1217 -1.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4362 -0.5005 -1.8821 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5954 -0.2198 -0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2811 3.2864 -1.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9793 2.3450 -0.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7796 1.5992 1.1817 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5844 4.3410 0.4482 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3850 1.5381 2.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1424 0.4705 2.9578 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8836 2.1996 2.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8405 -1.7058 2.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7329 0.3837 -0.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1900 0.3296 -1.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9490 -1.0857 1.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3797 -3.4483 -1.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2636 -2.6504 -0.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7615 -1.7476 -1.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6416 -3.1898 0.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5658 -4.2738 -0.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3243 -3.5766 1.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0984 -2.7725 -2.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 68 1 0 0 0 0 2 22 1 0 0 0 0 2 71 1 0 0 0 0 3 23 1 0 0 0 0 3 75 1 0 0 0 0 4 26 1 0 0 0 0 4 32 1 0 0 0 0 5 33 1 0 0 0 0 5 85 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 14 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 9 38 1 0 0 0 0 10 16 1 0 0 0 0 10 18 1 0 0 0 0 10 39 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 11 24 1 0 0 0 0 12 17 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 17 1 0 0 0 0 13 19 1 0 0 0 0 13 25 1 0 0 0 0 14 21 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 23 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 19 22 1 0 0 0 0 19 26 1 0 0 0 0 19 49 1 0 0 0 0 20 22 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 23 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 54 1 0 0 0 0 23 55 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 29 1 0 0 0 0 26 30 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 29 31 1 0 0 0 0 29 69 1 0 0 0 0 29 70 1 0 0 0 0 30 72 1 0 0 0 0 30 73 1 0 0 0 0 30 74 1 0 0 0 0 31 32 1 0 0 0 0 31 76 1 0 0 0 0 31 77 1 0 0 0 0 32 33 1 0 0 0 0 32 78 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 34 79 1 0 0 0 0 34 80 1 0 0 0 0 34 81 1 0 0 0 0 35 82 1 0 0 0 0 35 83 1 0 0 0 0 35 84 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,9,14-triol

4.2 InChI

InChI=1S/C30H50O5/c1-24(2)20(33)8-11-30-16-29(30)13-12-26(5)23(28(7)10-9-21(35-28)25(3,4)34)18(32)15-27(26,6)19(29)14-17(31)22(24)30/h17-23,31-34H,8-16H2,1-7H3/t17-,18-,19-,20-,21-,22-,23-,26+,27-,28+,29-,30+/m0/s1

4.3 InChIKey

WENNXORDXYGDTP-UOUCMYEWSA-N

4.4 Canonical SMILES

CC1(C(CCC23C1C(CC4C2(C3)CCC5(C4(CC(C5C6(CCC(O6)C(C)(C)O)C)O)C)C)O)O)C

4.5 Isomeric SMILES

C[C@]12CC[C@@]34C[C@@]35CC[C@@H](C([C@@H]5[C@H](C[C@H]4[C@@]1(C[C@@H]([C@@H]2[C@]6(CC[C@H](O6)C(C)(C)O)C)O)C)O)(C)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)