(17beta)-17-Hydroxy-17-methyl-4-[(phenylsulfanyl)methyl]androst-4-en-3-one
[CAS# 71507-77-2]

Identification

• Name: (17beta)-17-Hydroxy-17-methyl-4-[(phenylsulfanyl)methyl]androst-4-en-3-one
• Synonyms: 17β-hydroxy-17-methyl-4-[(phenylthio)methyl]androst-4-ene-3-one
• Molecular Formula: C₂₇H₃₆O₂S
• Molecular Weight: 424.64
• CAS Registry Number: 71507-77-2
• EINECS: 275-585-0
• SMILES: O=C5CC[C@@]3(C)C(CC[C@@H]2[C@@H]3CC[C@@]1(C)[C@H]2CC[C@]1(C)O)=C5CSc4ccccc4
• InChI: 1S/C27H36O2S/c1-25-14-13-24(28)20(17-30-18-7-5-4-6-8-18)21(25)10-9-19-22(25)11-15-26(2)23(19)12-16-27(26,3)29/h4-8,19,22-23,29H,9-17H2,1-3H3/t19-,22+,23+,25+,26+,27+/m1/s1
• InChIKey: ZTHICPNHMULZDY-AYEIPMSGSA-N

Properties

• Density: 1.174g/cm³ (Cal.)
• Boiling point: 554.837°C at 760 mmHg (Cal.)
• Flash point: 289.355°C (Cal.)