[(3S,5S,9R,10S,13R,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-15-Oxo-1,2,3,4,5,6,7,9,11,12,16,17-Dodecahydrocyclopenta[a]Phenanthren-3-Yl] Acetate
[CAS# 34495-42-6]

Identification

• Name: [(3S,5S,9R,10S,13R,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-15-Oxo-1,2,3,4,5,6,7,9,11,12,16,17-Dodecahydrocyclopenta[a]Phenanthren-3-Yl] Acetate
• Synonyms: [(3S,5S,9R,10S,13R,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-15-Oxo-1,2,3,4,5,6,7,9,11,12,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-Yl] Acetate; Acetic Acid [(3S,5S,9R,10S,13R,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-15-Oxo-1,2,3,4,5,6,7,9,11,12,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-Yl] Ester; Acetic Acid [(3S,5S,9R,10S,13R,17R)-17-[(1R)-1,5-Dimethylhexyl]-15-Keto-10,13-Dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-Yl] Ester
• Molecular Formula: C₂₉H₄₆O₃
• Molecular Weight: 442.68
• CAS Registry Number: 34495-42-6
• SMILES: [C@@H]13[C@@]4([C@@H](CCC1=C2[C@@]([C@H](CC2=O)[C@@H](CCCC(C)C)C)(CC3)C)C[C@@H](OC(=O)C)CC4)C
• InChI: 1S/C29H46O3/c1-18(2)8-7-9-19(3)25-17-26(31)27-23-11-10-21-16-22(32-20(4)30)12-14-28(21,5)24(23)13-15-29(25,27)6/h18-19,21-22,24-25H,7-17H2,1-6H3/t19-,21+,22+,24+,25-,28+,29-/m1/s1
• InChIKey: CHWPPYXTZHROMH-COQIGCCXSA-N

Properties

• Density: 1.041g/cm³ (Cal.)
• Boiling point: 527.463°C at 760 mmHg (Cal.)
• Flash point: 221.14°C (Cal.)