[(8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-17-Yl] Formate
[CAS# 3129-42-8]

Identification

• Name: [(8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-17-Yl] Formate
• Synonyms: Formic Acid [(8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Formic Acid [(8R,9S,10R,13S,14S,17S)-3-Keto-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Ester; [(8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Methanoate
• Molecular Formula: C₂₀H₂₈O₃
• Molecular Weight: 316.44
• CAS Registry Number: 3129-42-8
• SMILES: [C@H]24[C@H]1[C@@]([C@@H](OC=O)CC1)(CC[C@@H]2[C@@]3(C(=CC(=O)CC3)CC4)C)C
• InChI: 1S/C20H28O3/c1-19-9-7-14(22)11-13(19)3-4-15-16-5-6-18(23-12-21)20(16,2)10-8-17(15)19/h11-12,15-18H,3-10H2,1-2H3/t15-,16-,17-,18-,19-,20-/m0/s1
• InChIKey: LMUMOFOWZKACOU-RABCQHRBSA-N

Properties

• Density: 1.134g/cm³ (Cal.)
• Boiling point: 437.867°C at 760 mmHg (Cal.)
• Flash point: 190.857°C (Cal.)