Androst-4-Ene-3beta,17beta-Diol Dicyclopentylpropionate
[CAS# 81361-00-4]

Identification

• Name: Androst-4-Ene-3beta,17beta-Diol Dicyclopentylpropionate
• Synonyms: 3-Cyclopentylpropanoic Acid [(3S,8R,9S,10R,13S,14S,17S)-3-(3-Cyclopentyl-1-Oxopropoxy)-10,13-Dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester; 3-Cyclopentylpropionic Acid [(3S,8R,9S,10R,13S,14S,17S)-3-(3-Cyclopentylpropanoyloxy)-10,13-Dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester; Adcpp
• Molecular Formula: C₃₅H₅₄O₄
• Molecular Weight: 538.81
• CAS Registry Number: 81361-00-4
• SMILES: [C@H]36[C@H]2[C@@]([C@@H](OC(=O)CCC1CCCC1)CC2)(CC[C@@H]3[C@@]5(C(=C[C@@H](OC(=O)CCC4CCCC4)CC5)CC6)C)C
• InChI: 1S/C35H54O4/c1-34-21-19-27(38-32(36)17-11-24-7-3-4-8-24)23-26(34)13-14-28-29-15-16-31(35(29,2)22-20-30(28)34)39-33(37)18-12-25-9-5-6-10-25/h23-25,27-31H,3-22H2,1-2H3/t27-,28-,29-,30-,31-,34-,35-/m0/s1
• InChIKey: DHTFPVFYWWTGOY-LWTNCAELSA-N

Properties

• Density: 1.098g/cm³ (Cal.)
• Boiling point: 607.08°C at 760 mmHg (Cal.)
• Flash point: 294.46°C (Cal.)