(2R,4aS,4bS,6aS,7S,8R,10aS,10bR,12aR)-7-Chloro-4a,6a,8-Trimethyl-1,2,3,4,4b,5,6,7,8,9,10,10a,10b,11,12,12a-Hexadecahydrochrysen-2-Ol
[CAS# 76571-91-0]

Identification

• Name: (2R,4aS,4bS,6aS,7S,8R,10aS,10bR,12aR)-7-Chloro-4a,6a,8-Trimethyl-1,2,3,4,4b,5,6,7,8,9,10,10a,10b,11,12,12a-Hexadecahydrochrysen-2-Ol
• Synonyms: 17-Mchao; 17-Methyl-17A-Chloro-D-Homoandrostan-3-Ol; 17Alpha-Methyl-17Abeta-Chloro-D-Homo-5Beta-Androstan-3Alpha-Ol
• Molecular Formula: C₂₁H₃₅ClO
• Molecular Weight: 338.96
• CAS Registry Number: 76571-91-0
• SMILES: [C@H]1(CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@H]([C@@H]4Cl)C)C)C)O
• InChI: 1S/C21H35ClO/c1-13-4-7-17-16-6-5-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,3)19(13)22/h13-19,23H,4-12H2,1-3H3/t13-,14-,15-,16+,17+,18+,19+,20+,21+/m1/s1
• InChIKey: UMWMKSFDTADRMB-YAWPOEEYSA-N

Properties

• Density: 1.085g/cm³ (Cal.)
• Boiling point: 435.492°C at 760 mmHg (Cal.)
• Flash point: 217.178°C (Cal.)