17-Thia-3-Methoxy-8 alpha,14 beta-Estra-1,3,5(10)-Triene-17-Dioxide
[CAS# 55122-81-1]

Identification

• Name: 17-Thia-3-Methoxy-8 alpha,14 beta-Estra-1,3,5(10)-Triene-17-Dioxide
• Synonyms: (3As,3Bs,9Bs,11As)-7-Methoxy-11A-Methyl-3,3A,3B,4,5,9B,10,11-Octahydro-2H-Naphtho[2,1-E]Benzothiophene 1,1-Dioxide; (8 Alpha)-3-Methoxy-17-Thiaestra-1,3,5(10)-Triene, 17,17-Dioxide; 17-Thia-3-Methoxy-8 Alpha,14Beta-Estra-1,3,5(10)-Triene-17-Dioxide
• Molecular Formula: C₁₈H₂₄O₃S
• Molecular Weight: 320.45
• CAS Registry Number: 55122-81-1
• SMILES: [C@H]23CCC1=C(C=CC(=C1)OC)[C@H]2CC[C@]4([C@H]3CC[S]4(=O)=O)C
• InChI: 1S/C18H24O3S/c1-18-9-7-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(18)8-10-22(18,19)20/h4,6,11,15-17H,3,5,7-10H2,1-2H3/t15-,16+,17+,18+/m1/s1
• InChIKey: BXOVBEOGVKRGLK-OWSLCNJRSA-N

Properties

• Density: 1.197g/cm³ (Cal.)
• Boiling point: 512.987°C at 760 mmHg (Cal.)
• Flash point: 264.045°C (Cal.)