Dicirenone
[CAS# 41020-79-5]

Identification

• Name: Dicirenone
• Synonyms: Isopropyl (7R,8R,9S,10R,13S,14S)-17-Hydroxy-17-(3-Hydroxypropyl)-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14-Hexahydro-6H-Cyclopenta[A]Phenanthrene-7-Carboxylate; (7R,8R,9S,10R,13S,14S)-17-Hydroxy-17-(3-Hydroxypropyl)-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14-Hexahydro-6H-Cyclopenta[A]Phenanthrene-7-Carboxylic Acid Isopropyl Ester; (7R,8R,9S,10R,13S,14S)-17-Hydroxy-17-(3-Hydroxypropyl)-3-Keto-10,13-Dimethyl-7,8,9,11,12,14-Hexahydro-6H-Cyclopenta[A]Phenanthrene-7-Carboxylic Acid Isopropyl Ester
• Molecular Formula: C₂₆H₃₆O₅
• Molecular Weight: 428.57
• CAS Registry Number: 41020-79-5
• SMILES: [C@H]2(CC1=CC(C=C[C@@]1([C@@H]4[C@@H]2[C@@H]3C=CC(CCCO)([C@@]3(C)CC4)O)C)=O)C(=O)OC(C)C
• InChI: 1S/C26H36O5/c1-16(2)31-23(29)19-15-17-14-18(28)6-10-24(17,3)20-7-11-25(4)21(22(19)20)8-12-26(25,30)9-5-13-27/h6,8,10,12,14,16,19-22,27,30H,5,7,9,11,13,15H2,1-4H3/t19-,20+,21+,22-,24+,25+,26?/m1/s1
• InChIKey: BGQUAHLSQUUTEE-CNSAYLNMSA-N

Properties

• Density: 1.197g/cm³ (Cal.)
• Boiling point: 568.683°C at 760 mmHg (Cal.)
• Flash point: 186.508°C (Cal.)