4-[(3S,5R,10S,13R,14S,16S,17R)-14,16-Dihydroxy-3-[(2S,5R)-5-Hydroxy-4-Methoxy-6-Methyloxan-2-Yl]Oxy-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
[CAS# 36190-93-9]

Identification

• Name: 4-[(3S,5R,10S,13R,14S,16S,17R)-14,16-Dihydroxy-3-[(2S,5R)-5-Hydroxy-4-Methoxy-6-Methyloxan-2-Yl]Oxy-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
• Synonyms: 4-[(3S,5R,10S,13R,14S,16S,17R)-14,16-Dihydroxy-3-[(2S,5R)-5-Hydroxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-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-[(3S,5R,10S,13R,14S,16S,17R)-14,16-Dihydroxy-3-[[(2S,5R)-5-Hydroxy-4-Methoxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-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-[(3S,5R,10S,13R,14S,16S,17R)-14,16-Dihydroxy-3-[(2S,5R)-5-Hydroxy-4-Methoxy-6-Methyl-Oxan-2-Yl]Oxy-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: 36190-93-9
• SMILES: [C@]45([C@@](O)(C1C([C@@]3([C@H](CC1)C[C@@H](O[C@H]2OC([C@@H](O)C(OC)C2)C)CC3)C)CC4)C[C@H](O)[C@@H]5C6=CC(OC6)=O)C
• InChI: 1S/C30H46O8/c1-16-27(33)23(35-4)13-25(37-16)38-19-7-9-28(2)18(12-19)5-6-21-20(28)8-10-29(3)26(17-11-24(32)36-15-17)22(31)14-30(21,29)34/h11,16,18-23,25-27,31,33-34H,5-10,12-15H2,1-4H3/t16?,18-,19+,20?,21?,22+,23?,25-,26+,27-,28+,29-,30+/m1/s1
• InChIKey: ROKXRURUBUVHBD-XWHZSANESA-N

Properties

• Density: 1.274g/cm³ (Cal.)
• Boiling point: 697.534°C at 760 mmHg (Cal.)
• Flash point: 223.913°C (Cal.)