[(8R,9S,10R,13S,14S,17R)-17-Acetyl-3-Methoxy-6,10,13-Trimethyl-1,2,7,8,9,11,12,14,15,16-Decahydrocyclopenta[a]Phenanthren-17-Yl] Acetate
[CAS# 1104-99-0]

Identification

• Name: [(8R,9S,10R,13S,14S,17R)-17-Acetyl-3-Methoxy-6,10,13-Trimethyl-1,2,7,8,9,11,12,14,15,16-Decahydrocyclopenta[a]Phenanthren-17-Yl] Acetate
• Synonyms: Acetic Acid [(8R,9S,10R,13S,14S,17R)-17-Acetyl-3-Methoxy-6,10,13-Trimethyl-1,2,7,8,9,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester; [(8R,9S,10R,13S,14S,17R)-17-Ethanoyl-3-Methoxy-6,10,13-Trimethyl-1,2,7,8,9,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ethanoate; Pregna-3,5-Dien-20-One, 17-(Acetyloxy)-3-Methoxy-6-Methyl-
• Molecular Formula: C₂₅H₃₆O₄
• Molecular Weight: 400.56
• CAS Registry Number: 1104-99-0
• EINECS: 214-166-9
• SMILES: [C@@]14(C(=C(C[C@@H]2[C@@H]1CC[C@@]3([C@@](C(=O)C)(CC[C@@H]23)OC(=O)C)C)C)C=C(CC4)OC)C
• InChI: 1S/C25H36O4/c1-15-13-19-20(23(4)10-7-18(28-6)14-22(15)23)8-11-24(5)21(19)9-12-25(24,16(2)26)29-17(3)27/h14,19-21H,7-13H2,1-6H3/t19-,20+,21+,23-,24+,25+/m1/s1
• InChIKey: VFQNBCVPIGXTFD-HYRPPVSQSA-N

Properties

• Density: 1.117g/cm³ (Cal.)
• Boiling point: 508.697°C at 760 mmHg (Cal.)
• Flash point: 217.549°C (Cal.)