(3S,10S,13R,14R,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,7,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
[CAS# 70741-38-7]

Identification

• Name: (3S,10S,13R,14R,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,7,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
• Synonyms: (3S,10S,13R,14R,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; Cholesta-5,8-Dien-3 Beta-Ol; Cholesta-5,8-Dien-3-Ol, (3Beta)-
• Molecular Formula: C₂₇H₄₄O
• Molecular Weight: 384.64
• CAS Registry Number: 70741-38-7
• SMILES: [C@]34([C@H](C1=C([C@@]2(C(=CC1)C[C@@H](O)CC2)C)CC3)CC[C@@H]4[C@@H](CCCC(C)C)C)C
• InChI: 1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21,23-24,28H,6-8,10-17H2,1-5H3/t19-,21+,23-,24+,26+,27-/m1/s1
• InChIKey: VUKORTMHZDZZFR-BXAZICILSA-N

Properties

• Density: 1.004g/cm³ (Cal.)
• Boiling point: 492.109°C at 760 mmHg (Cal.)
• Flash point: 211.823°C (Cal.)