16beta-Acetoxy-3beta-[(6-Deoxy-3-O-Methyl-alpha-L-Mannopyranosyl)Oxy]-14-Hydroxy-5beta-Card-20(22)-Enolide
[CAS# 639-01-0]

Identification

• Name: 16beta-Acetoxy-3beta-[(6-Deoxy-3-O-Methyl-alpha-L-Mannopyranosyl)Oxy]-14-Hydroxy-5beta-Card-20(22)-Enolide
• Synonyms: [(3S,5R,10S,13R,14S,16S)-3-[(2S,5S)-3,5-Dihydroxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-14-Hydroxy-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,10S,13R,14S,16S)-3-[[(2S,5S)-3,5-Dihydroxy-4-Methoxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-14-Hydroxy-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,10S,13R,14S,16S)-3-[(2S,5S)-3,5-Dihydroxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-14-Hydroxy-17-(5-Keto-2H-Furan-3-Yl)-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: C₃₂H₄₈O₁₀
• Molecular Weight: 592.73
• CAS Registry Number: 639-01-0
• SMILES: [C@@]13(O)[C@@](C([C@@H](OC(=O)C)C1)C2=CC(OC2)=O)(CCC4C3CC[C@H]6[C@@]4(CC[C@H](O[C@H]5OC([C@H](O)C(OC)C5O)C)C6)C)C
• InChI: 1S/C32H48O10/c1-16-26(35)28(38-5)27(36)29(40-16)42-20-8-10-30(3)19(13-20)6-7-22-21(30)9-11-31(4)25(18-12-24(34)39-15-18)23(41-17(2)33)14-32(22,31)37/h12,16,19-23,25-29,35-37H,6-11,13-15H2,1-5H3/t16?,19-,20+,21?,22?,23+,25?,26+,27?,28?,29-,30+,31-,32+/m1/s1
• InChIKey: UZQOZJNEDXAJEZ-VJPDVXMKSA-N

Properties

• Density: 1.303g/cm³ (Cal.)
• Boiling point: 729.36°C at 760 mmHg (Cal.)
• Flash point: 229.353°C (Cal.)