17,20-Dihydroxypregn-4-Ene-3,11,20-Trione 20-(3-Cyclopentylpropionate)
[CAS# 509-00-2]

Identification

• Name: 17,20-Dihydroxypregn-4-Ene-3,11,20-Trione 20-(3-Cyclopentylpropionate)
• Synonyms: 3-Cyclopentylpropanoic Acid [1-Hydroxy-1-[(8S,9S,10R,13S,14S,17R)-17-Hydroxy-10,13-Dimethyl-3,11-Dioxo-1,2,6,7,8,9,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-17-Yl]Ethyl] Ester; 3-Cyclopentylpropionic Acid [1-Hydroxy-1-[(8S,9S,10R,13S,14S,17R)-17-Hydroxy-3,11-Diketo-10,13-Dimethyl-1,2,6,7,8,9,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-17-Yl]Ethyl] Ester; 17,20-Dihydroxypregn-4-Ene-3,11,20-Trione 20-(3-Cyclopentylpropionate)
• Molecular Formula: C₂₉H₄₂O₆
• Molecular Weight: 486.65
• CAS Registry Number: 509-00-2
• EINECS: 208-092-6
• SMILES: [C@H]35[C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)C(=O)C[C@@]3([C@@](O)(C(OC(=O)CCC4CCCC4)(O)C)CC5)C
• InChI: 1S/C29H42O6/c1-26-14-12-20(30)16-19(26)9-10-21-22-13-15-29(34,27(22,2)17-23(31)25(21)26)28(3,33)35-24(32)11-8-18-6-4-5-7-18/h16,18,21-22,25,33-34H,4-15,17H2,1-3H3/t21-,22-,25+,26-,27-,28?,29+/m0/s1
• InChIKey: KAVWQJRROZYAMX-JFXYQNGBSA-N

Properties

• Density: 1.224g/cm³ (Cal.)
• Boiling point: 641.853°C at 760 mmHg (Cal.)
• Flash point: 207.191°C (Cal.)