Wistariasaponin D
[CAS# 136033-54-0]

Identification

• Name: Wistariasaponin D
• Synonyms: (2S,3S,4S,5R,6R)-6-[[(3S,4S,4Ar,6Ar,6Bs,8Ar,12As,14Ar,14Br)-4-(Hydroxymethyl)-4,6A,6B,8A,11,11,14B-Heptamethyl-9-Oxo-2,3,4A,5,6,7,8,10,12,12A,14,14A-Dodecahydro-1H-Picen-3-Yl]Oxy]-5-[(2S,3R,4S,5R)-4,5-Dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-3,4-Dihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6R)-6-[[(3S,4S,4Ar,6Ar,6Bs,8Ar,12As,14Ar,14Br)-4-(Hydroxymethyl)-4,6A,6B,8A,11,11,14B-Heptamethyl-9-Oxo-2,3,4A,5,6,7,8,10,12,12A,14,14A-Dodecahydro-1H-Picen-3-Yl]Oxy]-5-[[(2S,3R,4S,5R)-4,5-Dihydroxy-3-[[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-3,4-Dihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6R)-6-[[(3S,4S,4Ar,6Ar,6Bs,8Ar,12As,14Ar,14Br)-9-Keto-4,6A,6B,8A,11,11,14B-Heptamethyl-4-Methylol-2,3,4A,5,6,7,8,10,12,12A,14,14A-Dodecahydro-1H-Picen-3-Yl]Oxy]-5-[(2S,3R,4S,5R)-4,5-Dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-3,4-Dihydroxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₄₇H₇₄O₁₇
• Molecular Weight: 911.09
• CAS Registry Number: 136033-54-0
• SMILES: [C@@H]14[C@]([C@]2(C(=CC1)[C@H]3[C@@](CC2)(C(=O)CC(C3)(C)C)C)C)(CC[C@@H]8[C@@]4(CC[C@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H]([C@H](O)[C@@H](O)[C@H]7O)C)C(=O)O)[C@@]8(CO)C)C)C
• InChI: 1S/C47H74O17/c1-21-29(51)31(53)34(56)39(60-21)63-36-30(52)24(49)19-59-40(36)64-37-33(55)32(54)35(38(57)58)62-41(37)61-28-12-13-44(5)25(45(28,6)20-48)11-14-47(8)26(44)10-9-22-23-17-42(2,3)18-27(50)43(23,4)15-16-46(22,47)7/h9,21,23-26,28-37,39-41,48-49,51-56H,10-20H2,1-8H3,(H,57,58)/t21-,23-,24+,25+,26+,28-,29-,30-,31+,32-,33-,34+,35-,36+,37+,39-,40-,41+,43+,44-,45+,46+,47+/m0/s1
• InChIKey: ZNWGBWWXJAYIOM-HMAPMRIXSA-N

Properties

• Density: 1.398g/cm³ (Cal.)
• Boiling point: 993.477°C at 760 mmHg (Cal.)
• Flash point: 284.624°C (Cal.)