(6S,8S,9S,10R,11S,13S,14S)-11-Hydroxy-17-(2-Hydroxyethylidene)-6,10,13-Trimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-3-One
[CAS# 3386-04-7]

Identification

• Name: (6S,8S,9S,10R,11S,13S,14S)-11-Hydroxy-17-(2-Hydroxyethylidene)-6,10,13-Trimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-3-One
• Synonyms: (6S,8S,9S,10R,11S,13S,14S,17E)-11-Hydroxy-17-(2-Hydroxyethylidene)-6,10,13-Trimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; Nsc27403; 11-Beta,21-Dihydroxy-6-Alpha-Methylpregna-4,17(20)-Dien-3-One
• Molecular Formula: C₂₂H₃₂O₃
• Molecular Weight: 344.49
• CAS Registry Number: 3386-04-7
• EINECS: 222-204-0
• SMILES: [C@H]23[C@@H]([C@@]1(C(=CC(=O)CC1)[C@H](C2)C)C)[C@@H](O)C[C@]\4([C@H]3CCC4=C\CO)C
• InChI: 1S/C22H32O3/c1-13-10-16-17-5-4-14(7-9-23)22(17,3)12-19(25)20(16)21(2)8-6-15(24)11-18(13)21/h7,11,13,16-17,19-20,23,25H,4-6,8-10,12H2,1-3H3/b14-7+/t13-,16-,17-,19-,20+,21-,22+/m0/s1
• InChIKey: URZZKSAZQICNQI-ZOUALELVSA-N

Properties

• Density: 1.161g/cm³ (Cal.)
• Boiling point: 511.771°C at 760 mmHg (Cal.)
• Flash point: 277.396°C (Cal.)