1-[(3S,5S,6S,8S,10S,13S,14S,17S)-3,6-Dihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Ethanone
[CAS# 37717-02-5]

Identification

• Name: 1-[(3S,5S,6S,8S,10S,13S,14S,17S)-3,6-Dihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Ethanone
• Synonyms: 5Alpha-Pregn-9(11)-Ene-3Beta,6Alpha-Diol-20-One; Asterone
• Molecular Formula: C₂₁H₃₂O₃
• Molecular Weight: 332.48
• CAS Registry Number: 37717-02-5
• SMILES: [C@]34(C2=CC[C@@]1([C@@H](C(=O)C)CC[C@H]1[C@@H]2C[C@H](O)[C@H]3C[C@H](CC4)O)C)C
• InChI: 1S/C21H32O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h7,13-16,18-19,23-24H,4-6,8-11H2,1-3H3/t13-,14-,15+,16-,18+,19-,20+,21+/m0/s1
• InChIKey: KFNFTGFTYYZZRD-VYXAABIESA-N

Properties

• Density: 1.155g/cm³ (Cal.)
• Boiling point: 481.185°C at 760 mmHg (Cal.)
• Flash point: 258.919°C (Cal.)