[(1S,3R,8S,9S,10R,13S,14S,17S)-17-[(1R)-1-[(2R)-4,5-Dimethyl-6-Oxo-2,3-Dihydropyran-2-Yl]-1-Hydroxyethyl]-3-Hydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-1-Yl] Acetate
[CAS# 78916-78-6]

Identification

• Name: [(1S,3R,8S,9S,10R,13S,14S,17S)-17-[(1R)-1-[(2R)-4,5-Dimethyl-6-Oxo-2,3-Dihydropyran-2-Yl]-1-Hydroxyethyl]-3-Hydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-1-Yl] Acetate
• Synonyms: [(1S,3R,8S,9S,10R,13S,14S,17S)-17-[(1R)-1-[(2R)-4,5-Dimethyl-6-Oxo-2,3-Dihydropyran-2-Yl]-1-Hydroxy-Ethyl]-3-Hydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-1-Yl] Acetate; Acetic Acid [(1S,3R,8S,9S,10R,13S,14S,17S)-17-[(1R)-1-[(2R)-4,5-Dimethyl-6-Oxo-2,3-Dihydropyran-2-Yl]-1-Hydroxyethyl]-3-Hydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-1-Yl] Ester; Acetic Acid [(1S,3R,8S,9S,10R,13S,14S,17S)-3-Hydroxy-17-[(1R)-1-Hydroxy-1-[(2R)-6-Keto-4,5-Dimethyl-2,3-Dihydropyran-2-Yl]Ethyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-1-Yl] Ester
• Molecular Formula: C₃₀H₄₄O₆
• Molecular Weight: 500.67
• CAS Registry Number: 78916-78-6
• SMILES: [C@@]25(C(=CC[C@H]3[C@@H]1CC[C@@H]([C@]1(CC[C@H]23)C)[C@]([C@@H]4OC(=O)C(=C(C4)C)C)(O)C)C[C@@H](O)C[C@@H]5OC(=O)C)C
• InChI: 1S/C30H44O6/c1-16-13-26(36-27(33)17(16)2)30(6,34)24-10-9-22-21-8-7-19-14-20(32)15-25(35-18(3)31)29(19,5)23(21)11-12-28(22,24)4/h7,20-26,32,34H,8-15H2,1-6H3/t20-,21+,22+,23+,24+,25+,26-,28+,29+,30-/m1/s1
• InChIKey: ANGCIHCSPJLGME-RKCWJGHXSA-N

Properties

• Density: 1.2g/cm³ (Cal.)
• Boiling point: 632.073°C at 760 mmHg (Cal.)
• Flash point: 200.814°C (Cal.)