(3S,8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-17-[(1S)-1-(3-Methylbutylamino)Ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
[CAS# 3915-24-0]

Identification

• Name: (3S,8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-17-[(1S)-1-(3-Methylbutylamino)Ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
• Synonyms: (3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(Isopentylamino)Ethyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; (3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(Isoamylamino)Ethyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; 22-Azacholesterol
• Molecular Formula: C₂₆H₄₅NO
• Molecular Weight: 387.65
• CAS Registry Number: 3915-24-0
• SMILES: [C@@H]4([C@H](C)NCCC(C)C)[C@@]3([C@H]([C@@H]2CC=C1C[C@H](CC[C@@]1([C@H]2CC3)C)O)CC4)C
• InChI: 1S/C26H45NO/c1-17(2)12-15-27-18(3)22-8-9-23-21-7-6-19-16-20(28)10-13-25(19,4)24(21)11-14-26(22,23)5/h6,17-18,20-24,27-28H,7-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25-,26+/m0/s1
• InChIKey: PCLDERUMTJBTMY-MJHCCXMASA-N

Properties

• Density: 1.013g/cm³ (Cal.)
• Boiling point: 487.987°C at 760 mmHg (Cal.)
• Flash point: 16.024°C (Cal.)