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21-Hydroxy-1,4-pregnadiene-3,20-dione
SpectraBase Compound ID H00jmtSHuXU
InChI InChI=1S/C21H28O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h7,9,11,15-18,22H,3-6,8,10,12H2,1-2H3
InChIKey ZDYFFPNLCUDFDB-UHFFFAOYSA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8lcPSeESMmz
Name 10,13-dimethyl-17-(2-oxidanylethanoyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CAS Registry Number 5508-55-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O3
InChI InChI=1S/C21H28O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h7,9,11,15-18,22H,3-6,8,10,12H2,1-2H3
InChIKey ZDYFFPNLCUDFDB-UHFFFAOYSA-N
Molecular Weight 328.452 g/mol
SMILES OCC(C1CCC2C1(C)CCC1C2CCC=2C1(C)C=CC(C2)=O)=O
SPLASH splash10-00di-0910000000-75e43f5e1ae5fbe0a217
Source of Spectrum KO-12-406-4
Synonyms 17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one 17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one 17-glycoloyl-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one 21-hydroxypregna-1,4-diene-3,20-dione
Wiley ID 1326691