[2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-6,10,13-Trimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthren-17-Yl]-2-Oxoethyl] 3-Cyclopentylpropanoate
[CAS# 3545-59-3]

Identification

• Name: [2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-6,10,13-Trimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthren-17-Yl]-2-Oxoethyl] 3-Cyclopentylpropanoate
• Synonyms: [2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-6,10,13-Trimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] 3-Cyclopentylpropanoate; 3-Cyclopentylpropanoic Acid [2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-6,10,13-Trimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; 3-Cyclopentylpropionic Acid [2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-3-Keto-6,10,13-Trimethyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₃₀H₄₂O₆
• Molecular Weight: 498.66
• CAS Registry Number: 3545-59-3
• EINECS: 222-591-6
• SMILES: [C@H]35[C@H]1[C@@]([C@](O)(CC1)C(=O)COC(=O)CCC2CCCC2)(C[C@H](O)[C@@H]3[C@@]4(C(=CC(=O)C=C4)[C@H](C5)C)C)C
• InChI: 1S/C30H42O6/c1-18-14-21-22-11-13-30(35,25(33)17-36-26(34)9-8-19-6-4-5-7-19)29(22,3)16-24(32)27(21)28(2)12-10-20(31)15-23(18)28/h10,12,15,18-19,21-22,24,27,32,35H,4-9,11,13-14,16-17H2,1-3H3/t18-,21-,22-,24-,27+,28-,29-,30-/m0/s1
• InChIKey: SVZRBMJEINPFCK-HVBFQCNSSA-N

Properties

• Density: 1.223g/cm³ (Cal.)
• Boiling point: 650.735°C at 760 mmHg (Cal.)
• Flash point: 208.774°C (Cal.)