Pentagestrone
[CAS# 7001-56-1]

Identification

• Name: Pentagestrone
• Synonyms: 1-[(8R,9S,10R,13S,14S,17R)-3-(Cyclopentoxy)-17-Hydroxy-10,13-Dimethyl-1,2,7,8,9,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-17-Yl]Ethanone; Pentagestrone; Pentagestrone [Inn]
• Molecular Formula: C₂₆H₃₈O₃
• Molecular Weight: 398.58
• CAS Registry Number: 7001-56-1
• SMILES: [C@H]23[C@H]1[C@@]([C@](C(C)=O)(O)CC1)(CC[C@@H]2[C@@]5(C(=CC3)C=C(OC4CCCC4)CC5)C)C
• InChI: 1S/C26H38O3/c1-17(27)26(28)15-12-23-21-9-8-18-16-20(29-19-6-4-5-7-19)10-13-24(18,2)22(21)11-14-25(23,26)3/h8,16,19,21-23,28H,4-7,9-15H2,1-3H3/t21-,22+,23+,24+,25+,26+/m1/s1
• InChIKey: RBFQPFFCDLXWQK-UXUCURBISA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 552.7±50.0°C at 760 mmHg (Cal.)
• Flash point: 182.9±23.6°C (Cal.)