16beta-(Acetyloxy)-3beta-[(4-O-beta-D-Glucopyranosyl-3-O-Methyl-2,6-Dideoxy-alpha-L-Arabino-Hexopyranosyl)Oxy]-14-Hydroxy-5beta-Card-20(22)-Enolide
[CAS# 56774-61-9]

Identification

• Name: 16beta-(Acetyloxy)-3beta-[(4-O-beta-D-Glucopyranosyl-3-O-Methyl-2,6-Dideoxy-alpha-L-Arabino-Hexopyranosyl)Oxy]-14-Hydroxy-5beta-Card-20(22)-Enolide
• Synonyms: [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-Hydroxy-3-[(2R,4S,5S,6S)-4-Methoxy-6-Methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-10,13-Dimethyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-16-Yl] Acetate; Acetic Acid [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-Hydroxy-3-[[(2R,4S,5S,6S)-4-Methoxy-6-Methyl-5-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-10,13-Dimethyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-16-Yl] Ester; Acetic Acid [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-Hydroxy-17-(5-Keto-2H-Furan-3-Yl)-3-[(2R,4S,5S,6S)-4-Methoxy-6-Methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-16-Yl] Ester
• Molecular Formula: C₃₈H₅₈O₁₄
• Molecular Weight: 738.87
• CAS Registry Number: 56774-61-9
• SMILES: [C@]26([C@@]([C@@H](C1=CC(=O)OC1)[C@H](C2)OC(=O)C)(CC[C@@H]7[C@]5(CC[C@H](O[C@@H]4O[C@H]([C@H](O[C@H]3[C@@H]([C@@H](O)[C@@H]([C@H](O3)CO)O)O)[C@H](C4)OC)C)C[C@H]5CC[C@@H]67)C)C)O
• InChI: 1S/C38H58O14/c1-18-34(52-35-33(44)32(43)31(42)27(16-39)51-35)25(46-5)14-29(48-18)50-22-8-10-36(3)21(13-22)6-7-24-23(36)9-11-37(4)30(20-12-28(41)47-17-20)26(49-19(2)40)15-38(24,37)45/h12,18,21-27,29-35,39,42-45H,6-11,13-17H2,1-5H3/t18-,21+,22-,23-,24+,25-,26-,27+,29-,30-,31+,32-,33+,34-,35-,36-,37+,38-/m0/s1
• InChIKey: ITYAEKHTQKSNBZ-LZDXGJHISA-N

Properties

• Density: 1.366g/cm³ (Cal.)
• Boiling point: 847.527°C at 760 mmHg (Cal.)
• Flash point: 255.422°C (Cal.)