(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-Dimethyl-17-[(2R,5S)-5,6,7-Trihydroxy-6-Methylheptan-2-Yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthrene-3,7,12-Triol
[CAS# 110612-30-1]

Identification

• Name: (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-Dimethyl-17-[(2R,5S)-5,6,7-Trihydroxy-6-Methylheptan-2-Yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthrene-3,7,12-Triol
• Synonyms: (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-Dimethyl-17-[(1R,4S)-4,5,6-Trihydroxy-1,5-Dimethyl-Hexyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthrene-3,7,12-Triol; (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-Dimethyl-17-[(1R,4S)-4,5,6-Trihydroxy-1,5-Dimethylhexyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthrene-3,7,12-Triol; (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-Dimethyl-17-[(2R,5S)-5,6,7-Trihydroxy-6-Methyl-Heptan-2-Yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthrene-3,7,12-Triol
• Molecular Formula: C₂₇H₄₈O₆
• Molecular Weight: 468.67
• CAS Registry Number: 110612-30-1
• SMILES: [C@@H]4([C@@H](CC[C@@H](C(CO)(C)O)O)C)[C@@]3([C@H]([C@@H]2[C@@H](C[C@@H]1C[C@@H](CC[C@@]1([C@H]2C[C@@H]3O)C)O)O)CC4)C
• InChI: 1S/C27H48O6/c1-15(5-8-22(31)26(3,33)14-28)18-6-7-19-24-20(13-23(32)27(18,19)4)25(2)10-9-17(29)11-16(25)12-21(24)30/h15-24,28-33H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,21-,22+,23+,24+,25+,26?,27-/m1/s1
• InChIKey: BUVRTWKYVCCTJS-TXXXLBLZSA-N

Properties

• Density: 1.194g/cm³ (Cal.)
• Boiling point: 656.58°C at 760 mmHg (Cal.)
• Flash point: 279.135°C (Cal.)