4-[(3S,10R,13R,14S)-14-Hydroxy-10,13-Dimethyl-3-[(2S,5R)-3,4,5-Trihydroxy-6-Methyloxan-2-Yl]Oxy-1,2,3,4,7,8,9,11,12,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-17-Yl]-5H-Furan-2-One
[CAS# 35536-76-6]

Identification

• Name: 4-[(3S,10R,13R,14S)-14-Hydroxy-10,13-Dimethyl-3-[(2S,5R)-3,4,5-Trihydroxy-6-Methyloxan-2-Yl]Oxy-1,2,3,4,7,8,9,11,12,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-17-Yl]-5H-Furan-2-One
• Synonyms: 4-[(3S,10R,13R,14S)-14-Hydroxy-10,13-Dimethyl-3-[(2S,5R)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-1,2,3,4,7,8,9,11,12,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One; 4-[(3S,10R,13R,14S)-14-Hydroxy-10,13-Dimethyl-3-[[(2S,5R)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-1,2,3,4,7,8,9,11,12,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One; 4-[(3S,10R,13R,14S)-14-Hydroxy-10,13-Dimethyl-3-[(2S,5R)-3,4,5-Trihydroxy-6-Methyl-Oxan-2-Yl]Oxy-1,2,3,4,7,8,9,11,12,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One
• Molecular Formula: C₂₉H₄₂O₈
• Molecular Weight: 518.65
• CAS Registry Number: 35536-76-6
• SMILES: [C@@]13(O)[C@@](C(CC1)C2=CC(OC2)=O)(CCC4C3CC=C6[C@@]4(CC[C@H](O[C@H]5OC([C@H](O)C(O)C5O)C)C6)C)C
• InChI: 1S/C29H42O8/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/h4,12,15,18-21,23-26,31-34H,5-11,13-14H2,1-3H3/t15?,18-,19?,20?,21?,23-,24?,25?,26+,27-,28+,29-/m0/s1
• InChIKey: VEESGYSTEQKVJL-NVHBCXAOSA-N

Properties

• Density: 1.339g/cm³ (Cal.)
• Boiling point: 706.482°C at 760 mmHg (Cal.)
• Flash point: 230.619°C (Cal.)