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Structure

5α-Pregnan-3β-ol-20-one 3β-acetate

CAS
906-83-2
Catalog Number
ACM906832
Category
Steroidal Compounds
Molecular Weight
360.53
Molecular Formula
C23H36O3

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Specification

Synonyms
20-Oxopregnan-3-yl acetate, pregnan-20-one, 3-(acetyloxy)-, 5-BETA-PREGNAN,20-ONE,3-ALPHA-YL-ACETATE, 906-83-2, InChI=1/C23H36O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h16-21H,5-13H2,1-4H
IUPAC Name
[(3S,5S,8R,9S,10S,13S,14S,17R)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Canonical SMILES
CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)C)C)C
InChI Key
GFHOQCXDABGYAL-MVAZZOICSA-N
Boiling Point
443.7ºC at 760mmHg
Flash Point
189.4ºC
Density
1.07g/cm³
Exact Mass
360.26600
H-Bond Acceptor
3
H-Bond Donor
0
WGK Germany
3
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