(8S,9S,10R,11S,13S,14S,17Z)-11-Hydroxy-17-(2-Hydroxyethylidene)-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-3-One
[CAS# 3494-53-9]

Identification

• Name: (8S,9S,10R,11S,13S,14S,17Z)-11-Hydroxy-17-(2-Hydroxyethylidene)-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-3-One
• Synonyms: Nsc9124; 11-Beta,21-Dihydroxypregna-4,17(20)-Dien-3-One; Diendiol
• Molecular Formula: C₂₁H₃₀O₃
• Molecular Weight: 330.47
• CAS Registry Number: 3494-53-9
• EINECS: 222-489-1
• SMILES: [C@H]23[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)[C@@H](O)C[C@]\4([C@H]3CCC4=C/CO)C
• InChI: 1S/C21H30O3/c1-20-9-7-15(23)11-14(20)3-5-16-17-6-4-13(8-10-22)21(17,2)12-18(24)19(16)20/h8,11,16-19,22,24H,3-7,9-10,12H2,1-2H3/b13-8-/t16-,17-,18-,19+,20-,21+/m0/s1
• InChIKey: SBMHTRUNPKWTLU-PKJGFKEFSA-N

Properties

• Density: 1.18g/cm³ (Cal.)
• Boiling point: 507.863°C at 760 mmHg (Cal.)
• Flash point: 275.036°C (Cal.)