Cussonoside B
[CAS# 30688-36-9]

Identification

• Name: Cussonoside B
• Synonyms: [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-Dihydroxy-6-(Hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxymethyl]-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl] (4As,6Ar,6As,6Br,8Ar,10S,12Ar,14Bs)-10-Hydroxy-2,2,6A,6B,9,9,12A-Heptamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylate; (4As,6Ar,6As,6Br,8Ar,10S,12Ar,14Bs)-10-Hydroxy-2,2,6A,6B,9,9,12A-Heptamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylic Acid [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-Dihydroxy-6-(Hydroxymethyl)-5-[[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxymethyl]-3,4,5-Trihydroxy-2-Tetrahydropyranyl] Ester; (4As,6Ar,6As,6Br,8Ar,10S,12Ar,14Bs)-10-Hydroxy-2,2,6A,6B,9,9,12A-Heptamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylic Acid [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-Dihydroxy-6-Methylol-5-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxymethyl]-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl] Ester
• Molecular Formula: C₄₈H₇₈O₁₇
• Molecular Weight: 927.13
• CAS Registry Number: 30688-36-9
• SMILES: [C@@H]17[C@]([C@]2(C(=CC1)[C@H]6[C@](CC2)(C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO[C@@H]5O[C@@H]([C@@H](O[C@@H]4O[C@H]([C@H](O)[C@@H](O)[C@H]4O)C)[C@H](O)[C@H]5O)CO)=O)CCC(C6)(C)C)C)(CC[C@@H]8[C@@]7(CC[C@H](O)C8(C)C)C)C
• InChI: 1S/C48H78O17/c1-22-30(51)32(53)35(56)40(61-22)64-38-25(20-49)62-39(37(58)34(38)55)60-21-26-31(52)33(54)36(57)41(63-26)65-42(59)48-17-15-43(2,3)19-24(48)23-9-10-28-45(6)13-12-29(50)44(4,5)27(45)11-14-47(28,8)46(23,7)16-18-48/h9,22,24-41,49-58H,10-21H2,1-8H3/t22-,24-,25+,26+,27-,28+,29-,30-,31+,32+,33-,34+,35+,36+,37+,38+,39+,40-,41-,45-,46+,47+,48-/m0/s1
• InChIKey: QDUNASUIHMLOJM-VYEWMGKISA-N

Properties

• Density: 1.387g/cm³ (Cal.)
• Boiling point: 972.079°C at 760 mmHg (Cal.)
• Flash point: 275.033°C (Cal.)