566-93-8 Purity
95%+
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Specification
The molecular formula is C21H34O3.
It was created on October 25, 2006, and modified on November 25, 2023.
The IUPAC Name is 2-hydroxy-1-[(3R,5R,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.
The molecular weight is 334.5 g/mol.
The Canonical SMILES is CC12CCC(CC1CCC3C2CCC4(C3CCC4C(=O)CO)C)O.
There are 2 hydrogen bond donor counts.
The topological polar surface area is 57.5Ų.
There are 8 defined atom stereocenter counts.
The XLogP3-AA value is 4.2.
The InChIKey is CYKYBWRSLLXBOW-DATPGIFZSA-N.