(3S,8S,9S,10R,13S,14S,17S)-3-Hydroxy-10,13-Dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthrene-17-Carboxylic Acid Methyl Ester
[CAS# 7254-03-7]

Identification

• Name: (3S,8S,9S,10R,13S,14S,17S)-3-Hydroxy-10,13-Dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthrene-17-Carboxylic Acid Methyl Ester
• Synonyms: (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]Phenanthrene-17-Carboxylic Acid Methyl Ester; Nsc72824; Zinc03881339
• Molecular Formula: C₂₁H₃₂O₃
• Molecular Weight: 332.48
• CAS Registry Number: 7254-03-7
• SMILES: [C@H]2(C(OC)=O)CC[C@H]3[C@@H]1CC=C4[C@@]([C@H]1CC[C@]23C)(CC[C@@H](C4)O)C
• InChI: 1S/C21H32O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h4,14-18,22H,5-12H2,1-3H3/t14-,15-,16-,17-,18+,20-,21-/m0/s1
• InChIKey: WGYHVQYXJNPQAA-WPWXJNKXSA-N

Properties

• Density: 1.123g/cm³ (Cal.)
• Boiling point: 438.269°C at 760 mmHg (Cal.)
• Flash point: 171.087°C (Cal.)