(8S,9S,13S,14S)-13-Methyl-10-[(2R)-Thiiran-2-Yl]-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthrene-3,17-Dione
[CAS# 108180-16-1]

Identification

• Name: (8S,9S,13S,14S)-13-Methyl-10-[(2R)-Thiiran-2-Yl]-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthrene-3,17-Dione
• Synonyms: (8S,9S,13S,14S)-13-Methyl-10-[(2R)-2-Thiiranyl]-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthrene-3,17-Dione; (8S,9S,13S,14S)-13-Methyl-10-[(2R)-Thiiran-2-Yl]-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthrene-3,17-Quinone; 10-Thiiranyl-Ad
• Molecular Formula: C₂₀H₂₆O₂S
• Molecular Weight: 330.48
• CAS Registry Number: 108180-16-1
• SMILES: [C@@H]23CCC1=CC(CCC1([C@H]2CC[C@]4([C@H]3CCC4=O)C)[C@H]5SC5)=O
• InChI: 1S/C20H26O2S/c1-19-8-7-16-14(15(19)4-5-17(19)22)3-2-12-10-13(21)6-9-20(12,16)18-11-23-18/h10,14-16,18H,2-9,11H2,1H3/t14-,15-,16-,18-,19-,20?/m0/s1
• InChIKey: ZSIYAFPOXRGFRA-PGYXPUGXSA-N

Properties

• Density: 1.234g/cm³ (Cal.)
• Boiling point: 503.453°C at 760 mmHg (Cal.)
• Flash point: 215.095°C (Cal.)