(5R,8R,9S,10S,13S,14S,17S)-17-(2-Hydroxyacetyl)-10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-3-One
[CAS# 303-01-5]

Identification

• Name: (5R,8R,9S,10S,13S,14S,17S)-17-(2-Hydroxyacetyl)-10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-3-One
• Synonyms: (5R,8R,9S,10S,13S,14S,17S)-17-(2-Hydroxy-1-Oxoethyl)-10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-One; (5R,8R,9S,10S,13S,14S,17S)-17-Glycoloyl-10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-One; (5R,8R,9S,10S,13S,14S,17S)-17-(2-Hydroxyethanoyl)-10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-One
• Molecular Formula: C₂₁H₃₂O₃
• Molecular Weight: 332.48
• CAS Registry Number: 303-01-5
• SMILES: [C@@H]12CC(CC[C@@]1([C@@H]4[C@@H](CC2)[C@@H]3CC[C@H](C(CO)=O)[C@@]3(C)CC4)C)=O
• InChI: 1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13,15-18,22H,3-12H2,1-2H3/t13-,15+,16+,17+,18-,20+,21+/m1/s1
• InChIKey: USPYDUPOCUYHQL-VEVMSBRDSA-N

Properties

• Density: 1.111g/cm³ (Cal.)
• Boiling point: 468.645°C at 760 mmHg (Cal.)
• Flash point: 251.343°C (Cal.)