CAS No.: 176182-06-2 — Depressine (-)

1. Primary Information

English name:	Depressine
CAS No.:	176182-06-2
Molecular formula:	C₃₀H₄₀O₁₈
Molecular weight:	688.6 g/mol
SMILES:	COC(=O)C1=COC(C(C1CCOC(=O)C2=C(C(=CC=C2)OC3C(C(C(C(O3)CO)O)O)O)O)C=C)OC4C(C(C(C(O4)CO)O)O)O
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Purchase	Storage conditions	Lead time	Notes
Kehua Intelligence	10mg	HPLC≥98%	2800	Buy now	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 88 91 0 1 0 0 0 0 0999 V2000 1.6345 -1.5665 1.1241 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 -2.9036 -0.5552 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8119 -2.0138 1.9199 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6996 -1.9571 2.6757 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0604 -2.4913 0.9958 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5028 -4.6111 -0.8887 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9068 1.2004 0.6912 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2461 1.2619 -1.6164 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1854 0.7528 3.5236 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6075 -0.4655 1.3215 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0273 0.9553 -1.1935 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2736 -3.1062 -3.1361 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4455 1.9762 -1.8725 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 2.4440 2.4434 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 2.1251 2.6958 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0070 1.5868 2.6887 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8194 0.0466 -2.1570 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6942 0.7887 -3.6957 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4846 -0.9972 -0.3240 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6811 0.4285 0.2663 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6898 -2.1120 1.2568 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6960 -2.6031 0.8382 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7785 -3.1039 0.8470 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6223 -3.5245 -0.6144 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9617 -1.9560 0.7642 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1823 -3.9546 -0.9048 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4439 1.3476 -0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2875 0.3354 1.6415 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6082 0.4639 2.2529 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6761 0.6067 1.1684 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4427 1.4224 1.9969 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0577 0.5480 -0.2285 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0263 -4.2672 -2.3832 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7183 -1.5720 -0.9657 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8498 1.4782 -0.3413 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3302 -0.8131 2.3292 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7602 1.4390 -2.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3115 1.2164 2.9994 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8462 1.5088 2.3172 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7943 -1.9330 -2.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1422 2.0159 -1.9068 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4886 1.5746 -2.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1998 2.1886 -2.4744 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9175 1.4070 -2.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2499 3.4064 -1.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0922 3.5793 -2.4955 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2644 3.6588 3.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1326 4.1882 -2.2222 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6958 -0.9233 -1.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6797 0.8589 0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8900 -1.1226 0.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9804 -3.4908 1.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7803 -3.9789 1.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9236 -2.6908 -1.2596 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9694 -2.9795 0.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0754 -4.8566 -0.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4843 1.0252 -0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4817 2.3578 -0.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2541 -0.5710 2.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2500 1.5309 1.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7699 2.4689 2.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7774 -0.4801 -0.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6139 -5.0888 -2.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0730 -4.5271 -2.5726 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6049 -1.6931 -0.3482 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1840 2.5214 -0.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7872 -0.9252 3.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3152 2.1480 -2.6776 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7449 0.4898 -2.5856 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5241 -2.8261 3.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0727 -1.6889 0.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2445 -5.3577 -0.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9077 0.2059 2.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6472 1.3984 4.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7175 -2.3361 -2.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9452 -1.8484 -2.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4930 1.6752 3.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1297 -1.3021 1.1891 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2928 1.8679 -0.9878 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1247 -3.3245 -4.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5566 1.9703 3.3392 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1984 3.9003 -1.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9528 4.2015 -2.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5978 3.4533 4.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0550 4.1526 2.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3946 4.3198 3.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2177 5.2707 -2.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0922 -0.2346 -2.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 25 1 0 0 0 0 2 22 1 0 0 0 0 2 26 1 0 0 0 0 3 25 1 0 0 0 0 3 36 1 0 0 0 0 4 21 1 0 0 0 0 4 70 1 0 0 0 0 5 23 1 0 0 0 0 5 71 1 0 0 0 0 6 24 1 0 0 0 0 6 72 1 0 0 0 0 7 31 1 0 0 0 0 7 35 1 0 0 0 0 8 35 1 0 0 0 0 8 41 1 0 0 0 0 9 29 1 0 0 0 0 9 77 1 0 0 0 0 10 30 1 0 0 0 0 10 78 1 0 0 0 0 11 32 1 0 0 0 0 11 79 1 0 0 0 0 12 33 1 0 0 0 0 12 80 1 0 0 0 0 13 37 1 0 0 0 0 13 42 1 0 0 0 0 14 39 1 0 0 0 0 14 47 1 0 0 0 0 15 38 1 0 0 0 0 15 81 1 0 0 0 0 16 39 2 0 0 0 0 17 44 1 0 0 0 0 17 88 1 0 0 0 0 18 42 2 0 0 0 0 19 20 1 0 0 0 0 19 25 1 0 0 0 0 19 34 1 0 0 0 0 19 49 1 0 0 0 0 20 27 1 0 0 0 0 20 28 1 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 24 26 1 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 26 33 1 0 0 0 0 26 56 1 0 0 0 0 27 37 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 36 2 0 0 0 0 28 39 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 59 1 0 0 0 0 30 32 1 0 0 0 0 30 60 1 0 0 0 0 31 38 1 0 0 0 0 31 61 1 0 0 0 0 32 35 1 0 0 0 0 32 62 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 34 40 2 0 0 0 0 34 65 1 0 0 0 0 35 66 1 0 0 0 0 36 67 1 0 0 0 0 37 68 1 0 0 0 0 37 69 1 0 0 0 0 38 73 1 0 0 0 0 38 74 1 0 0 0 0 40 75 1 0 0 0 0 40 76 1 0 0 0 0 41 44 1 0 0 0 0 41 45 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 43 46 1 0 0 0 0 45 48 1 0 0 0 0 45 82 1 0 0 0 0 46 48 2 0 0 0 0 46 83 1 0 0 0 0 47 84 1 0 0 0 0 47 85 1 0 0 0 0 47 86 1 0 0 0 0 48 87 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

methyl (2S,3R,4S)-3-ethenyl-4-[2-[2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxyethyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

4.2 InChI

InChI=1S/C30H40O18/c1-3-12-13(15(26(40)42-2)11-44-28(12)48-30-25(39)23(37)21(35)18(10-32)47-30)7-8-43-27(41)14-5-4-6-16(19(14)33)45-29-24(38)22(36)20(34)17(9-31)46-29/h3-6,11-13,17-18,20-25,28-39H,1,7-10H2,2H3/t12-,13+,17-,18-,20-,21-,22+,23+,24-,25-,28+,29-,30+/m1/s1

4.3 InChIKey

ODVCSBYBNISFOU-HNEGCACGSA-N

4.4 Canonical SMILES

COC(=O)C1=COC(C(C1CCOC(=O)C2=C(C(=CC=C2)OC3C(C(C(C(O3)CO)O)O)O)O)C=C)OC4C(C(C(C(O4)CO)O)O)O

4.5 Isomeric SMILES

COC(=O)C1=CO[C@H]([C@@H]([C@@H]1CCOC(=O)C2=C(C(=CC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)C=C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)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)