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(3Z,4aS,8aR,10aR)-3-(hydroxymethylene)-1,1,4a,8a-tetramethyl-6,7,8,9,10,10a-hexahydro-4H-phenanthren-2-one
SpectraBase Compound ID 7Psf1bY3QOF
InChI InChI=1S/C19H28O2/c1-17(2)14-8-10-18(3)9-6-5-7-15(18)19(14,4)11-13(12-20)16(17)21/h7,12,14,20H,5-6,8-11H2,1-4H3/b13-12-/t14-,18+,19-/m0/s1
InChIKey MLJXVXPJVKTUNZ-HIVFCARMSA-N
Mol Weight 288.43 g/mol
Molecular Formula C19H28O2
Exact Mass 288.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1hnRiEPaeC9
Name (3Z,4aS,8aR,10aR)-3-(hydroxymethylene)-1,1,4a,8a-tetramethyl-6,7,8,9,10,10a-hexahydro-4H-phenanthren-2-one
Appearance Crystalline solid
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Formula C19H28O2
InChI InChI=1S/C19H28O2/c1-17(2)14-8-10-18(3)9-6-5-7-15(18)19(14,4)11-13(12-20)16(17)21/h7,12,14,20H,5-6,8-11H2,1-4H3/b13-12-/t14-,18+,19-/m0/s1
InChIKey MLJXVXPJVKTUNZ-HIVFCARMSA-N
Instrument Name Micromass 70-VSE
Ionization Type EI
Literature Reference DOI 10.1021/jm101445p
Reported Formula C19H28O2
SMILES O\C=C/1C(C([C@]2([C@](C1)(C=1[C@@](CC2)(CCCC1)C)C)[H])(C)C)=O
SPLASH splash10-03dr-0890000000-ceb7805fd3b543fe6e4e
Source of Spectrum AF-54-SM50-SM50-1
Wiley ID 1848799