[(3S,10S,13R,14R,17R)-4,4,10,13,14-Pentamethyl-17-[(2R)-6-Methylhept-5-En-2-Yl]-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[a]Phenanthren-3-Yl] Acetate
[CAS# 2671-68-3]

Identification

• Name: [(3S,10S,13R,14R,17R)-4,4,10,13,14-Pentamethyl-17-[(2R)-6-Methylhept-5-En-2-Yl]-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[a]Phenanthren-3-Yl] Acetate
• Synonyms: [(3S,10S,13R,14R,17R)-17-[(1R)-1,5-Dimethylhex-4-Enyl]-4,4,10,13,14-Pentamethyl-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Acetate; Acetic Acid [(3S,10S,13R,14R,17R)-17-[(1R)-1,5-Dimethylhex-4-Enyl]-4,4,10,13,14-Pentamethyl-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; [(3S,10S,13R,14R,17R)-4,4,10,13,14-Pentamethyl-17-[(2R)-6-Methylhept-5-En-2-Yl]-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ethanoate
• Molecular Formula: C₃₂H₅₂O₂
• Molecular Weight: 468.76
• CAS Registry Number: 2671-68-3
• SMILES: [C@]34([C@](C2=C([C@@]1(C(C([C@@H](OC(=O)C)CC1)(C)C)CC2)C)CC3)(CC[C@@H]4[C@@H](CCC=C(C)C)C)C)C
• InChI: 1S/C32H52O2/c1-21(2)11-10-12-22(3)24-15-19-32(9)26-13-14-27-29(5,6)28(34-23(4)33)17-18-30(27,7)25(26)16-20-31(24,32)8/h11,22,24,27-28H,10,12-20H2,1-9H3/t22-,24-,27?,28+,30-,31-,32+/m1/s1
• InChIKey: BQPPJGMMIYJVBR-FBVRJMPFSA-N

Properties

• Density: 0.998g/cm³ (Cal.)
• Boiling point: 513.06°C at 760 mmHg (Cal.)
• Flash point: 261.196°C (Cal.)