17 Beta-Hydroxy-10-Methylthioestra-1,4-Dien-3-One
[CAS# 80888-68-2]

Identification

• Name: 17 Beta-Hydroxy-10-Methylthioestra-1,4-Dien-3-One
• Synonyms: (8S,9S,13S,14S,17S)-17-Hydroxy-13-Methyl-10-(Methylthio)-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-One; Hmtdo; 17Beta-Hydroxy-10-Methylthioestra-1,4-Dien-3-One
• Molecular Formula: C₁₉H₂₆O₂S
• Molecular Weight: 318.47
• CAS Registry Number: 80888-68-2
• SMILES: [C@@H]23CCC1=CC(C=CC1([C@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)SC)=O
• InChI: 1S/C19H26O2S/c1-18-9-8-16-14(15(18)5-6-17(18)21)4-3-12-11-13(20)7-10-19(12,16)22-2/h7,10-11,14-17,21H,3-6,8-9H2,1-2H3/t14-,15-,16-,17-,18-,19?/m0/s1
• InChIKey: YSNDCELATLCSQS-OUROWQTJSA-N

Properties

• Density: 1.206g/cm³ (Cal.)
• Boiling point: 486.931°C at 760 mmHg (Cal.)
• Flash point: 248.287°C (Cal.)