Renanolone
[CAS# 565-99-1]

Identification

• Name: Renanolone
• Synonyms: (3R,5R,8S,9S,10S,13S,14S,17S)-17-Ethanoyl-3-Hydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-11-One; 11-Ketopregnanolone; 11-Oxopregnanolone
• Molecular Formula: C₂₁H₃₂O₃
• Molecular Weight: 332.48
• CAS Registry Number: 565-99-1
• SMILES: [C@@H]23[C@H]([C@H]1[C@]([C@@H](C(C)=O)CC1)(C)CC2=O)CC[C@H]4[C@@]3(CC[C@H](C4)O)C
• InChI: 1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3/t13-,14-,15+,16-,17+,19-,20+,21-/m1/s1
• InChIKey: DUHUCHOQIDJXAT-CSXWOMMHSA-N

Properties

• Density: 1.112g/cm³ (Cal.)
• Boiling point: 468.073°C at 760 mmHg (Cal.)
• Flash point: 250.998°C (Cal.)