3beta-[(6-Deoxy-3-O-Methyl-beta-D-Glucopyranosyl)Oxy]-14-Hydroxy-5beta-Card-20(22)-Enolide
[CAS# 560-67-8]

Identification

• Name: 3beta-[(6-Deoxy-3-O-Methyl-beta-D-Glucopyranosyl)Oxy]-14-Hydroxy-5beta-Card-20(22)-Enolide
• Synonyms: 4-[(3R,5R,10S,13R,14S,17R)-3-[(2R,5R)-3,5-Dihydroxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-14-Hydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One; 4-[(3R,5R,10S,13R,14S,17R)-3-[[(2R,5R)-3,5-Dihydroxy-4-Methoxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-14-Hydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One; 4-[(3R,5R,10S,13R,14S,17R)-3-[(2R,5R)-3,5-Dihydroxy-4-Methoxy-6-Methyl-Oxan-2-Yl]Oxy-14-Hydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One
• Molecular Formula: C₃₀H₄₆O₈
• Molecular Weight: 534.69
• CAS Registry Number: 560-67-8
• SMILES: [C@@]45(O)C1C([C@@]3([C@H](CC1)C[C@H](O[C@@H]2OC([C@@H](O)C(OC)C2O)C)CC3)C)CC[C@@]4([C@H](CC5)C6=CC(OC6)=O)C
• InChI: 1S/C30H46O8/c1-16-24(32)26(35-4)25(33)27(37-16)38-19-7-10-28(2)18(14-19)5-6-22-21(28)8-11-29(3)20(9-12-30(22,29)34)17-13-23(31)36-15-17/h13,16,18-22,24-27,32-34H,5-12,14-15H2,1-4H3/t16?,18-,19-,20-,21?,22?,24-,25?,26?,27+,28+,29-,30+/m1/s1
• InChIKey: VPUNMTHWNSJUOG-YCTCZDAFSA-N

Properties

• Density: 1.274g/cm³ (Cal.)
• Boiling point: 700.079°C at 760 mmHg (Cal.)
• Flash point: 224.862°C (Cal.)