(3S,5S,8R,9S,10S,13R,16R,17R)-17-[(2R,5S)-5-Ethyl-6-Methylheptan-2-Yl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene-3,16-Diol
[CAS# 140147-34-8]

Identification

• Name: (3S,5S,8R,9S,10S,13R,16R,17R)-17-[(2R,5S)-5-Ethyl-6-Methylheptan-2-Yl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene-3,16-Diol
• Synonyms: (3S,5S,8R,9S,10S,13R,16R,17R)-17-[(1R,4S)-4-Ethyl-1,5-Dimethyl-Hexyl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-3,16-Diol; (3S,5S,8R,9S,10S,13R,16R,17R)-17-[(1R,4S)-4-Ethyl-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-3,16-Diol; (3S,5S,8R,9S,10S,13R,16R,17R)-17-[(2R,5S)-5-Ethyl-6-Methyl-Heptan-2-Yl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-3,16-Diol
• Molecular Formula: C₂₉H₅₀O₂
• Molecular Weight: 430.71
• CAS Registry Number: 140147-34-8
• SMILES: [C@@]14(C(=C[C@@H](O)[C@@H]1[C@@H](CC[C@@H](C(C)C)CC)C)[C@H]3[C@@H]([C@]2(CC[C@@H](C[C@@H]2CC3)O)C)CC4)C
• InChI: 1S/C29H50O2/c1-7-20(18(2)3)9-8-19(4)27-26(31)17-25-23-11-10-21-16-22(30)12-14-28(21,5)24(23)13-15-29(25,27)6/h17-24,26-27,30-31H,7-16H2,1-6H3/t19-,20+,21+,22+,23-,24+,26-,27+,28+,29+/m1/s1
• InChIKey: UBIQQOLRFLRFBL-YUBQVYHLSA-N

Properties

• Density: 1.02g/cm³ (Cal.)
• Boiling point: 533.798°C at 760 mmHg (Cal.)
• Flash point: 217.636°C (Cal.)