Structure

Alphadolone

CAS
14107-37-0
Catalog Number
ACM14107370
Category
Steroidal Compounds
Molecular Weight
348.48
Molecular Formula
C21H32O4

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Specification

Synonyms
alfadolone;Pregnane-11,20-dione, 3,21-dihydroxy-, (3.alpha.,5.alpha.)-
IUPAC Name
(3R,5S,8S,9S,10S,13S,14S,17S)-3-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
Canonical SMILES
C[C@H]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2C(=O)C[C@H]4([C@H]3CC[C@@H]4C(=O)CO)C)O
InChI Key
XWYBFXIUISNTQG-VKMGZQQJSA-N
Boiling Point
508.5ºC at 760mmHg
Melting Point
>145 °C (dec.)
Flash Point
275.4ºC
Density
1.175g/cm³
EC Number
237-961-2
Exact Mass
348.23000
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