4-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-11,14-Dihydroxy-3-[(2R,4S,5R,6S)-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# 76704-78-4]

Identification

• Name: 4-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-11,14-Dihydroxy-3-[(2R,4S,5R,6S)-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,8R,9S,10S,11R,13R,14S,17R)-11,14-Dihydroxy-3-[(2R,4S,5R,6S)-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,8R,9S,10S,11R,13R,14S,17R)-11,14-Dihydroxy-3-[[(2R,4S,5R,6S)-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,8R,9S,10S,11R,13R,14S,17R)-11,14-Dihydroxy-3-[(2R,4S,5R,6S)-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: 76704-78-4
• SMILES: [C@]25([C@@]([C@@H]1CC[C@H]4[C@@]([C@H]1[C@@H](C2)O)(CC[C@H](O[C@@H]3O[C@H]([C@@H](O)[C@H](C3)OC)C)C4)C)(CC[C@@H]5C6=CC(=O)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)5-6-21-26(28)22(31)14-29(3)20(8-10-30(21,29)34)17-11-24(32)36-15-17/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-/m0/s1
• InChIKey: LEORFFVSVUWAEY-KKFKOBSISA-N

Properties

• Density: 1.274g/cm³ (Cal.)
• Boiling point: 696.148°C at 760 mmHg (Cal.)
• Flash point: 223.397°C (Cal.)