5660-91-3 Purity
97%
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Specification
The molecular formula is C21H34O3.
The synonyms are 570-52-5, 3alpha,17alpha-Dihydroxy-5beta-pregnan-20-one, and CHEBI:34353.
The molecular weight is 334.5 g/mol.
It was created on March 26, 2005, and last modified on October 21, 2023.
The structure can be viewed at the following link: https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=101773&t=l.
The IUPAC name is 1-[(3R,5R,8R,9S,10S,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone.
The InChI is InChI=1S/C21H34O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h14-18,23-24H,4-12H2,1-3H3/t14-,15-,16-,17+,18+,19+,20+,21+/m1/s1.
The InChIKey is LKQDFQLSEHWIRK-UKBVDAKRSA-N.
The Canonical SMILES is CC(=O)C1(CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)O.
The CAS number is 570-52-5.