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Structure

5α-Pregnan-11β,21-diol-3,20-dione

CAS
298-25-9
Catalog Number
ACM298259
Category
Steroidal Compounds
Molecular Weight
348.48
Molecular Formula
C21H32O4

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Specification

Synonyms
5-ALPHA-PREGNAN-11-BETA, 21-DIOL-3,20-DIONE;5-ALPHA-DIHYDROCORTICOSTERONE;ALLODIHYDROCORTICOSTERONE;5A-pregnane-11B-21-diol-3-20-dione;5-dihydrocorticosterone
IUPAC Name
(5S,8S,9S,10S,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Canonical SMILES
CC12CCC(=O)CC1CCC3C2C(CC4(C3CCC4C(=O)CO)C)O
InChI Key
CTTOFMJLOGMZRN-DYWNTJRHSA-N
Boiling Point
508.5ºC at 760 mmHg
Flash Point
275.4ºC
Density
1.175 g/cm³
Exact Mass
348.23000
H-Bond Acceptor
4
H-Bond Donor
2
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