(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2S,3R)-3-Hydroxy-6-Methylheptan-2-Yl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene-3,7-Diol
[CAS# 104786-66-5]

Identification

• Name: (3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2S,3R)-3-Hydroxy-6-Methylheptan-2-Yl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene-3,7-Diol
• Synonyms: (3S,7S,8S,9S,10R,13R,14S,17R)-17-[(1S,2R)-2-Hydroxy-1,5-Dimethyl-Hexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-3,7-Diol; (3S,7S,8S,9S,10R,13R,14S,17R)-17-[(1S,2R)-2-Hydroxy-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-3,7-Diol; (3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2S,3R)-3-Hydroxy-6-Methyl-Heptan-2-Yl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-3,7-Diol
• Molecular Formula: C₂₇H₄₆O₃
• Molecular Weight: 418.66
• CAS Registry Number: 104786-66-5
• SMILES: [C@H]23[C@H]1[C@@]([C@H](CC1)[C@@H]([C@H](O)CCC(C)C)C)(CC[C@@H]2[C@@]4(C(=C[C@H]3O)C[C@@H](O)CC4)C)C
• InChI: 1S/C27H46O3/c1-16(2)6-9-23(29)17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h15-17,19-25,28-30H,6-14H2,1-5H3/t17-,19-,20+,21-,22-,23+,24+,25-,26-,27+/m0/s1
• InChIKey: ULLWYOKOOHAYDJ-SDLILUQASA-N

Properties

• Density: 1.081g/cm³ (Cal.)
• Boiling point: 548.471°C at 760 mmHg (Cal.)
• Flash point: 230.511°C (Cal.)