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Structure

5α-Pregnan-3β,11β,21-triol-20-one

CAS
516-16-5
Catalog Number
ACM516165
Category
Steroidal Compounds
Molecular Weight
350.49
Molecular Formula
C21H34O4

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Specification

Synonyms
REICHSTEIN'S SUBSTANCE R;REICHSTEIN'S SUBSTANCE ''R'';EPIALLOTETRAHYDRO 'B';3-BETA,11-BETA,21-TRIHYDROXY-5-ALPHA-PREGNAN-20-ONE;3-BETA,5-ALPHA-TETRAHYDROCORTICOSTERONE;5-ALPHA-PREGNAN-3-BETA, 11-BETA, 21-TRIOL-20-ONE;5A-pregnane-3B-11B-21-triol-20-one;Al
IUPAC Name
1-[(3S,5S,8S,9S,10S,11S,13S,14S,17S)-3,11-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyethanone
Canonical SMILES
CC12CCC(CC1CCC3C2C(CC4(C3CCC4C(=O)CO)C)O)O
InChI Key
RHQQHZQUAMFINJ-GKWSUJDHSA-N
Boiling Point
509.6ºC at 760 mmHg
Flash Point
276.1ºC
Density
1.18g/cm³
Exact Mass
350.24600
H-Bond Acceptor
4
H-Bond Donor
3
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