(16alpha,17beta)-3-(Cyclopentyloxy)-Estra-1,3,5(10)-Triene-16,17-Diol
[CAS# 1169-79-5]

Identification

• Classification: API >> Hormone and endocrine-regulating drugs >> Estrogen and progestogen drugs
• Name: (16alpha,17beta)-3-(Cyclopentyloxy)-Estra-1,3,5(10)-Triene-16,17-Diol
• Synonyms: (16R,17R)-3-(Cyclopentoxy)-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthrene-16,17-Diol; Estra-1,3,5(10)-Triene-16-Alpha,17-Beta-Diol, 3-(Cyclopentyloxy)-; Estriol 3-Cyclopentyl Ether
• Molecular Formula: C₂₃H₃₂O₃
• Molecular Weight: 356.50
• CAS Registry Number: 1169-79-5
• EINECS: 214-623-2
• SMILES: [C@@H]5(O)C4(C(C1C(C3=C(CC1)C=C(OC2CCCC2)C=C3)CC4)C[C@H]5O)C
• InChI: 1S/C23H32O3/c1-23-11-10-18-17-9-7-16(26-15-4-2-3-5-15)12-14(17)6-8-19(18)20(23)13-21(24)22(23)25/h7,9,12,15,18-22,24-25H,2-6,8,10-11,13H2,1H3/t18?,19?,20?,21-,22+,23?/m1/s1
• InChIKey: ODYKCPYPRCJXLY-XAIXDWMTSA-N

Properties

• Density: 1.188g/cm³ (Cal.)
• Boiling point: 510.175°C at 760 mmHg (Cal.)
• Flash point: 262.345°C (Cal.)