22-Thio-23,24-Bisnor-5-Cholen-3-Ol
[CAS# 116523-89-8]

Identification

• Name: 22-Thio-23,24-Bisnor-5-Cholen-3-Ol
• Synonyms: (3S,8S,9S,10R,13S,14S,17R)-10,13-Dimethyl-17-[(1S)-1-Methyl-2-Sulfanyl-Ethyl]-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,17R)-17-[(1S)-2-Mercapto-1-Methylethyl]-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,17R)-17-[(1S)-2-Mercapto-1-Methyl-Ethyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol
• Molecular Formula: C₂₂H₃₆OS
• Molecular Weight: 348.59
• CAS Registry Number: 116523-89-8
• SMILES: [C@@H]4([C@@H](CS)C)[C@@]3([C@H]([C@@H]2CC=C1C[C@H](CC[C@@]1([C@H]2CC3)C)O)CC4)C
• InChI: 1S/C22H36OS/c1-14(13-24)18-6-7-19-17-5-4-15-12-16(23)8-10-21(15,2)20(17)9-11-22(18,19)3/h4,14,16-20,23-24H,5-13H2,1-3H3/t14-,16+,17+,18-,19+,20+,21+,22-/m1/s1
• InChIKey: IWHLHPLQPDAYMQ-NBOCEFNVSA-N

Properties

• Density: 1.076g/cm³ (Cal.)
• Boiling point: 467.247°C at 760 mmHg (Cal.)
• Flash point: 236.383°C (Cal.)