(7a,17b)-7-(Acetylthio)-4',5'-Dihydro-Spiro[Androst-4-Ene-17,2'(3'H)-Furan]-3-One
[CAS# 6673-97-8]

Identification

• Name: (7a,17b)-7-(Acetylthio)-4',5'-Dihydro-Spiro[Androst-4-Ene-17,2'(3'H)-Furan]-3-One
• Synonyms: S-[(7R,8R,9S,10R,13S,14S,17R)-10,13-Dimethyl-3-Oxo-Spiro[2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthrene-17,2'-Tetrahydrofuran]-7-Yl] Ethanethioate; Ethanethioic Acid S-[[(7R,8R,9S,10R,13S,14S,17R)-10,13-Dimethyl-3-Oxo-7-Spiro[2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthrene-17,2'-Tetrahydrofuran]Yl]] Ester; Ethanethioic Acid S-[(7R,8R,9S,10R,13S,14S,17R)-3-Keto-10,13-Dimethyl-Spiro[2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthrene-17,2'-Tetrahydrofuran]-7-Yl] Ester
• Molecular Formula: C₂₄H₃₄O₃S
• Molecular Weight: 402.59
• CAS Registry Number: 6673-97-8
• SMILES: [C@H]35[C@H]2[C@@]([C@]1(CCCO1)CC2)(CC[C@@H]3[C@@]4(C(=CC(=O)CC4)C[C@H]5SC(C)=O)C)C
• InChI: 1S/C24H34O3S/c1-15(25)28-20-14-16-13-17(26)5-9-22(16,2)18-6-10-23(3)19(21(18)20)7-11-24(23)8-4-12-27-24/h13,18-21H,4-12,14H2,1-3H3/t18-,19-,20+,21+,22-,23-,24-/m0/s1
• InChIKey: XKCGICBTWRNUCL-KIEAKMPYSA-N

Properties

• Density: 1.188g/cm³ (Cal.)
• Boiling point: 542.529°C at 760 mmHg (Cal.)
• Flash point: 265.504°C (Cal.)