(3S,8S,9S,10R,13R,14S,17R)-7-Amino-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
[CAS# 156856-03-0]

Identification

• Name: (3S,8S,9S,10R,13R,14S,17R)-7-Amino-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
• Synonyms: (3S,8S,9S,10R,13R,14S,17R)-7-Amino-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; (3Beta)-7-Aminocholest-5-En-3-Ol; 7-Aminocholest-5-En-3-Ol (3Beta)-
• Molecular Formula: C₂₇H₄₇NO
• Molecular Weight: 401.67
• CAS Registry Number: 156856-03-0
• SMILES: [C@H]23[C@H]1[C@@]([C@H](CC1)[C@@H](CCCC(C)C)C)(CC[C@@H]2[C@@]4(C(=CC3N)C[C@@H](O)CC4)C)C
• InChI: 1S/C27H47NO/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(29)15-19(26)16-24(25)28/h16-18,20-25,29H,6-15,28H2,1-5H3/t18-,20+,21-,22+,23+,24?,25+,26+,27-/m1/s1
• InChIKey: WLHQSAYHIOPMMJ-UOQFGJKXSA-N

Properties

• Density: 1.015g/cm³ (Cal.)
• Boiling point: 503.418°C at 760 mmHg (Cal.)
• Flash point: 258.258°C (Cal.)