1-[(3S,8R,9S,10R,13S,14S,15S,17S)-3,15-Dihydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Ethanone
[CAS# 32746-93-3]

Identification

• Name: 1-[(3S,8R,9S,10R,13S,14S,15S,17S)-3,15-Dihydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Ethanone
• Synonyms: 3,15-Dihydroxy-5-Pregnen-20-One; 3Beta,15Alpha-Dihydroxy-5-Pregnen-20-One; 3Beta,15Beta-Dihydroxy-5-Pregnen-20-One
• Molecular Formula: C₂₁H₃₂O₃
• Molecular Weight: 332.48
• CAS Registry Number: 32746-93-3
• SMILES: [C@@H]4(CC[C@]2(C(=CC[C@H]3[C@@H]1[C@H](C[C@H](C(C)=O)[C@@]1(C)CC[C@H]23)O)C4)C)O
• InChI: 1S/C21H32O3/c1-12(22)17-11-18(24)19-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h4,14-19,23-24H,5-11H2,1-3H3/t14-,15+,16-,17+,18-,19+,20-,21+/m0/s1
• InChIKey: BADMFWCUKIKZMJ-SSCQCSDVSA-N

Properties

• Density: 1.155g/cm³ (Cal.)
• Boiling point: 482.773°C at 760 mmHg (Cal.)
• Flash point: 259.878°C (Cal.)