4-[(3S,5R,8R,9S,10S,13R,17R)-14-Hydroxy-10,13-Dimethyl-3-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)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
[CAS# 33275-60-4]

Identification

• Name: 4-[(3S,5R,8R,9S,10S,13R,17R)-14-Hydroxy-10,13-Dimethyl-3-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)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
• Synonyms: 4-[(3S,5R,8R,9S,10S,13R,17R)-14-Hydroxy-10,13-Dimethyl-3-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)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,17R)-14-Hydroxy-10,13-Dimethyl-3-[[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-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,17R)-14-Hydroxy-10,13-Dimethyl-3-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-Methylol-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
• Molecular Formula: C₂₉H₄₄O₉
• Molecular Weight: 536.66
• CAS Registry Number: 33275-60-4
• 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)CO)CC3)C)CC[C@]5(C4(O)CC[C@@H]5C6=CC(OC6)=O)C
• InChI: 1S/C29H44O9/c1-27-8-5-17(37-26-25(34)24(33)23(32)21(13-30)38-26)12-16(27)3-4-20-19(27)6-9-28(2)18(7-10-29(20,28)35)15-11-22(31)36-14-15/h11,16-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t16-,17+,18-,19+,20-,21-,23+,24+,25-,26-,27+,28-,29?/m1/s1
• InChIKey: CMHWMOGWFZWDMR-GCRVBMKPSA-N

Properties

• Density: 1.369g/cm³ (Cal.)
• Boiling point: 735.18°C at 760 mmHg (Cal.)
• Flash point: 239.315°C (Cal.)