1-[(3S,5R,8R,9S,10S,13S,14S)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9, 11,12,14,15-Dodecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Ethanone
[CAS# 566-59-6]

Identification

• Name: 1-[(3S,5R,8R,9S,10S,13S,14S)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9, 11,12,14,15-Dodecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Ethanone
• Synonyms: 5.Beta.-Pregn-16-En-20-One, 3.Beta.-Hydroxy-; Nsc21453; Pregn-16-En-20-One, 3-Hydroxy-, (3.Beta.,5.Beta.)-
• Molecular Formula: C₂₁H₃₂O₂
• Molecular Weight: 316.48
• CAS Registry Number: 566-59-6
• SMILES: [C@@]14(C)[C@H]([C@H]3[C@H](CC1)[C@]2(CC[C@H](O)C[C@H]2CC3)C)CC=C4C(=O)C
• InChI: 1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,14-16,18-19,23H,4-5,7-12H2,1-3H3/t14-,15+,16+,18+,19+,20+,21-/m1/s1
• InChIKey: SFXPZLCQRZASKK-FOUVRMTGSA-N

Properties

• Density: 1.078g/cm³ (Cal.)
• Boiling point: 443.741°C at 760 mmHg (Cal.)
• Flash point: 189.131°C (Cal.)