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(16E)-10,13-dimethyl-3-oxidanyl-16-[(1,3,5-trimethylpyrazol-4-yl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one

View entire compound with spectra: 1 MS (GC)

(16E)-10,13-dimethyl-3-oxidanyl-16-[(1,3,5-trimethylpyrazol-4-yl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one
SpectraBase Compound ID LelgdjIppDc
InChI InChI=1S/C26H36N2O2/c1-15-21(16(2)28(5)27-15)12-17-13-23-20-7-6-18-14-19(29)8-10-25(18,3)22(20)9-11-26(23,4)24(17)30/h6,12,19-20,22-23,29H,7-11,13-14H2,1-5H3/b17-12+
InChIKey LLACSJNGOUDMMQ-SFQUDFHCSA-N
Mol Weight 408.6 g/mol
Molecular Formula C26H36N2O2
Exact Mass 408.277678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EtrQ4xiObQB
Name (16E)-10,13-dimethyl-3-oxidanyl-16-[(1,3,5-trimethylpyrazol-4-yl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one
Alternate Name(s) (16E)-3-hydroxy-10,13-dimethyl-16-[(1,3,5-trimethyl-4-pyrazolyl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one (16E)-3-hydroxy-10,13-dimethyl-16-[(1,3,5-trimethylpyrazol-4-yl)methylene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one (16E)-3-hydroxy-10,13-dimethyl-16-[(1,3,5-trimethylpyrazol-4-yl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one 3-Hydroxy-16-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylene]androst-5-en-17-one
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Formula C26H36N2O2
InChI InChI=1S/C26H36N2O2/c1-15-21(16(2)28(5)27-15)12-17-13-23-20-7-6-18-14-19(29)8-10-25(18,3)22(20)9-11-26(23,4)24(17)30/h6,12,19-20,22-23,29H,7-11,13-14H2,1-5H3/b17-12+
InChIKey LLACSJNGOUDMMQ-SFQUDFHCSA-N
Molecular Weight 408.586 g/mol
SMILES OC1CCC2(C3CCC4(C(C3CC=C2C1)C\C(C4=O)=C/c1c([n](nc1C)C)C)C)C
SPLASH splash10-0a4i-4920500000-2568cd8a90e28c161c6d
Wiley ID 1461567