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11-ALPHA-HYDROXYPREGNA-4,17(20)-TRANS-DIENE-3,16-DIONE
SpectraBase Compound ID 4Yfm1cnjPFW
InChI InChI=1S/C21H28O3/c1-4-15-17(23)10-16-14-6-5-12-9-13(22)7-8-20(12,2)19(14)18(24)11-21(15,16)3/h4,9,14,16,18-19,24H,5-8,10-11H2,1-3H3/b15-4+/t14-,16-,18+,19+,20-,21+/m0/s1
InChIKey VFYMFJITXXVKLX-SHNSEZFKSA-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 HCYO6EpnH0X
Name (8S,9S,10R,11R,13S,14S,17Z)-17-ethylidene-10,13-dimethyl-11-oxidanyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione
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Formula C21H28O3
InChI InChI=1S/C21H28O3/c1-4-15-17(23)10-16-14-6-5-12-9-13(22)7-8-20(12,2)19(14)18(24)11-21(15,16)3/h4,9,14,16,18-19,24H,5-8,10-11H2,1-3H3/b15-4+/t14-,16-,18+,19+,20-,21+/m0/s1
InChIKey VFYMFJITXXVKLX-SHNSEZFKSA-N
Molecular Weight 328.452 g/mol
SMILES O[C@]1([C@@]2([C@@]3(C(=CC(CC3)=O)CC[C@]2([C@]2([C@@](\C(C(=O)C2)=C\C)(C1)C)[H])[H])C)[H])[H]
SPLASH splash10-00di-0809000000-89e634a86e7f640ab048
Source of Spectrum G4-61-431-7
Synonyms (8S,9S,10R,11R,13S,14S,17Z)-17-ethylidene-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione (8S,9S,10R,11R,13S,14S,17Z)-17-ethylidene-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-quinone
Wiley ID 1607178