2-Hydroxy-1-[(3S,8S,9S,10R,13S,14S,17S)-3-Hydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Ethanone
[CAS# 1164-98-3]

Identification

• Name: 2-Hydroxy-1-[(3S,8S,9S,10R,13S,14S,17S)-3-Hydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Ethanone
• Synonyms: St5331316; Zinc04743114; Nsc60793
• Molecular Formula: C₂₁H₃₂O₃
• Molecular Weight: 332.48
• CAS Registry Number: 1164-98-3
• SMILES: [C@@]14(C)[C@H]([C@H]2[C@H](CC1)[C@]3(C)C(=CC2)C[C@H](CC3)O)CC[C@@H]4C(CO)=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/h3,14-18,22-23H,4-12H2,1-2H3/t14-,15-,16-,17-,18+,20-,21-/m0/s1
• InChIKey: MOIQRAOBRXUWGN-WPWXJNKXSA-N

Properties

• Density: 1.157g/cm³ (Cal.)
• Boiling point: 483.359°C at 760 mmHg (Cal.)
• Flash point: 260.232°C (Cal.)