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(7S,8R,9S,10R,13S,14S,17Z)-17-ethylidene-10,13-dimethyl-7-oxidanyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione

View entire compound with spectra: 2 MS (GC)

(7S,8R,9S,10R,13S,14S,17Z)-17-ethylidene-10,13-dimethyl-7-oxidanyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione
SpectraBase Compound ID HhlpFYsBDjT
InChI InChI=1S/C21H28O3/c1-4-14-17(23)11-16-19-15(6-8-21(14,16)3)20(2)7-5-13(22)9-12(20)10-18(19)24/h4,9,15-16,18-19,24H,5-8,10-11H2,1-3H3/b14-4+/t15-,16-,18-,19+,20-,21+/m0/s1
InChIKey PIUUBOGLEHVSIX-UWCMONJWSA-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 DmkDCcyDYsn
Name (7S,8R,9S,10R,13S,14S,17Z)-17-ethylidene-10,13-dimethyl-7-oxidanyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione
Alternate Name(s) (7S,8R,9S,10R,13S,14S,17Z)-17-ethylidene-7-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione (7S,8R,9S,10R,13S,14S,17Z)-17-ethylidene-7-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-quinone
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Formula C21H28O3
InChI InChI=1S/C21H28O3/c1-4-14-17(23)11-16-19-15(6-8-21(14,16)3)20(2)7-5-13(22)9-12(20)10-18(19)24/h4,9,15-16,18-19,24H,5-8,10-11H2,1-3H3/b14-4+/t15-,16-,18-,19+,20-,21+/m0/s1
InChIKey PIUUBOGLEHVSIX-UWCMONJWSA-N
Molecular Weight 328.452 g/mol
SMILES O[C@@]1([C@]2([C@]3([C@@](\C(C(=O)C3)=C\C)(CC[C@@]2([C@@]2(C(=CC(CC2)=O)C1)C)[H])C)[H])[H])[H]
SPLASH splash10-01t9-0429000000-6b541096111614890d6a
Source of Spectrum G4-61-431-3
Wiley ID 1607182