4-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-Hydroxy-10,13-Dimethyl-3-[(2S,3R,4R,5S,6R)-3,4,5-Trihydroxy-6-Methyloxan-2-Yl]Oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-17-Yl]-5H-Furan-2-One
[CAS# 3080-19-1]

Identification

• Name: 4-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-Hydroxy-10,13-Dimethyl-3-[(2S,3R,4R,5S,6R)-3,4,5-Trihydroxy-6-Methyloxan-2-Yl]Oxy-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,13R,14S,17R)-14-Hydroxy-10,13-Dimethyl-3-[(2S,3R,4R,5S,6R)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-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,13R,14S,17R)-14-Hydroxy-10,13-Dimethyl-3-[[(2S,3R,4R,5S,6R)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-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,13R,14S,17R)-14-Hydroxy-10,13-Dimethyl-3-[(2S,3R,4R,5S,6R)-3,4,5-Trihydroxy-6-Methyl-Oxan-2-Yl]Oxy-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: C₂₉H₄₄O₈
• Molecular Weight: 520.66
• CAS Registry Number: 3080-19-1
• SMILES: [C@H]14[C@@H]([C@@]3([C@H](CC1)C[C@@H](O[C@H]2O[C@@H]([C@@H](O)[C@@H](O)[C@H]2O)C)CC3)C)CC[C@]5([C@]4(O)CC[C@@H]5C6=CC(OC6)=O)C
• InChI: 1S/C29H44O8/c1-15-23(31)24(32)25(33)26(36-15)37-18-6-9-27(2)17(13-18)4-5-21-20(27)7-10-28(3)19(8-11-29(21,28)34)16-12-22(30)35-14-16/h12,15,17-21,23-26,31-34H,4-11,13-14H2,1-3H3/t15-,17-,18+,19-,20+,21-,23-,24-,25-,26-,27+,28-,29+/m1/s1
• InChIKey: WQMLFJWIKARBFW-DWWCTUHQSA-N

Properties

• Density: 1.319g/cm³ (Cal.)
• Boiling point: 694.592°C at 760 mmHg (Cal.)
• Flash point: 225.396°C (Cal.)