(3S,4R,5S,10S,13R,14R)-4,10,13-Trimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,5,6,7,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
[CAS# 32908-16-0]

Identification

• Name: (3S,4R,5S,10S,13R,14R)-4,10,13-Trimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,5,6,7,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
• Synonyms: (3S,4R,5S,10S,13R,14R)-17-[(1R)-1,5-Dimethylhexyl]-4,10,13-Trimethyl-2,3,4,5,6,7,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; Cholest-8-En-3-Ol, 4-Methyl-, (3Beta,4Beta,5Alpha)-; 4-Methylcholest-8-En-3-Ol
• Molecular Formula: C₂₈H₄₈O
• Molecular Weight: 400.69
• CAS Registry Number: 32908-16-0
• SMILES: [C@H]12[C@@](C(CC1)[C@@H](CCCC(C)C)C)(CCC3=C2CC[C@@H]4[C@@]3(CC[C@H](O)[C@@H]4C)C)C
• InChI: 1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h18-20,22-24,26,29H,7-17H2,1-6H3/t19-,20-,22?,23+,24+,26+,27-,28+/m1/s1
• InChIKey: SCEZIHJVTBQOLS-ZFIJRCDXSA-N

Properties

• Density: 0.983g/cm³ (Cal.)
• Boiling point: 488.045°C at 760 mmHg (Cal.)
• Flash point: 213.914°C (Cal.)