[(3S,8R,9S,10R,13S,14S,17R)-17-Acetyl-17-Acetyloxy-6,10,13-Trimethyl-1,2,3,8,9,11,12,14,15,16-Decahydrocyclopenta[a]Phenanthren-3-Yl] 3-Cyclopentylpropanoate
[CAS# 72648-88-5]

Identification

• Name: [(3S,8R,9S,10R,13S,14S,17R)-17-Acetyl-17-Acetyloxy-6,10,13-Trimethyl-1,2,3,8,9,11,12,14,15,16-Decahydrocyclopenta[a]Phenanthren-3-Yl] 3-Cyclopentylpropanoate
• Synonyms: [(3S,8R,9S,10R,13S,14S,17R)-17-Acetoxy-17-Acetyl-6,10,13-Trimethyl-1,2,3,8,9,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-3-Yl] 3-Cyclopentylpropanoate; 3-Cyclopentylpropanoic Acid [(3S,8R,9S,10R,13S,14S,17R)-17-Acetoxy-17-Acetyl-6,10,13-Trimethyl-1,2,3,8,9,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-3-Yl] Ester; 3-Cyclopentylpropionic Acid [(3S,8R,9S,10R,13S,14S,17R)-17-Acetoxy-17-Acetyl-6,10,13-Trimethyl-1,2,3,8,9,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-3-Yl] Ester
• Molecular Formula: C₃₂H₄₆O₅
• Molecular Weight: 510.71
• CAS Registry Number: 72648-88-5
• SMILES: [C@H]45[C@H]3[C@@H]([C@@]2(C(=C[C@@H](OC(=O)CCC1CCCC1)CC2)C(=C3)C)C)CC[C@@]4([C@](OC(=O)C)(CC5)C(=O)C)C
• InChI: 1S/C32H46O5/c1-20-18-25-26(13-16-31(5)27(25)14-17-32(31,21(2)33)37-22(3)34)30(4)15-12-24(19-28(20)30)36-29(35)11-10-23-8-6-7-9-23/h18-19,23-27H,6-17H2,1-5H3/t24-,25+,26-,27-,30+,31-,32-/m0/s1
• InChIKey: WAHQVRCNDCHDIB-QZYSPNBYSA-N

Properties

• Density: 1.133g/cm³ (Cal.)
• Boiling point: 588.644°C at 760 mmHg (Cal.)
• Flash point: 245.189°C (Cal.)