(7R,8R,9S,10R,13S,14S,17R)-10,13-Dimethyl-7-Sulfanylspiro[2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthrene-17,5'-Oxolane]-2',3-Dione
[CAS# 38753-76-3]

Identification

• Name: (7R,8R,9S,10R,13S,14S,17R)-10,13-Dimethyl-7-Sulfanylspiro[2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthrene-17,5'-Oxolane]-2',3-Dione
• Synonyms: (7R,8R,9S,10R,13S,14S,17R)-10,13-Dimethyl-7-Sulfanyl-Spiro[2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthrene-17,5'-Tetrahydrofuran]-2',3-Dione; (7R,8R,9S,10R,13S,14S,17R)-7-Mercapto-10,13-Dimethylspiro[2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthrene-17,5'-Tetrahydrofuran]-2',3-Dione; (7R,8R,9S,10R,13S,14S,17R)-7-Mercapto-10,13-Dimethyl-Spiro[2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthrene-17,5'-Tetrahydrofuran]-2',3-Quinone
• Molecular Formula: C₂₂H₃₀O₃S
• Molecular Weight: 374.54
• CAS Registry Number: 38753-76-3
• SMILES: [C@H]35[C@H]2[C@@]([C@@]1(OC(=O)CC1)CC2)(CC[C@@H]3[C@@]4(C(=CC(=O)CC4)C[C@H]5S)C)C
• InChI: 1S/C22H30O3S/c1-20-7-3-14(23)11-13(20)12-17(26)19-15(20)4-8-21(2)16(19)5-9-22(21)10-6-18(24)25-22/h11,15-17,19,26H,3-10,12H2,1-2H3/t15-,16-,17+,19+,20-,21-,22+/m0/s1
• InChIKey: NZCDWYJROUPYPT-NYTLBARGSA-N

Properties

• Density: 1.22g/cm³ (Cal.)
• Boiling point: 561.714°C at 760 mmHg (Cal.)
• Flash point: 457.32°C (Cal.)