17-Hydroxy-10-Mercaptoestr-4-En-3-One
[CAS# 51101-80-5]

Identification

• Name: 17-Hydroxy-10-Mercaptoestr-4-En-3-One
• Synonyms: (8S,9S,13S,14S,17S)-17-Hydroxy-10-Mercapto-13-Methyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One; 17-Hydroxy-10-Mercaptoestr-4-En-3-One; Estr-4-En-3-One, 17-Hydroxy-10-Mercapto-, (17Beta)-
• Molecular Formula: C₁₈H₂₆O₂S
• Molecular Weight: 306.46
• CAS Registry Number: 51101-80-5
• SMILES: [C@]34([C@H]([C@H]2[C@@H](C1(C(=CC(=O)CC1)CC2)S)CC3)CC[C@@H]4O)C
• InChI: 1S/C18H26O2S/c1-17-8-7-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)6-9-18(11,15)21/h10,13-16,20-21H,2-9H2,1H3/t13-,14-,15-,16-,17-,18?/m0/s1
• InChIKey: VVJCUUBNICZCTD-QMBAMSFSSA-N

Properties

• Density: 1.202g/cm³ (Cal.)
• Boiling point: 470.616°C at 760 mmHg (Cal.)
• Flash point: 238.42°C (Cal.)