Allopregnanolone

Revision as of 00:00, 15 January 2001 by Special:Contributions/ (Talk)

Description

A pregnane found in the urine of pregnant women and sows. It has anesthetic, hypnotic, and sedative properties.

*Molecular Weight

318.49

*Molecular Formula

C₂₁H₃₄O₂

*IUPAC NAME

1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

*Canonical Smiles

CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C

*Isomeric Smiles

CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C

*Melting Point

*LogP

*Water Solubility