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12-Hydroxy-6,7-secoabieta-8,11,13-triene-6,7-dial
SpectraBase Compound ID LQ1gL8cUBII
InChI InChI=1S/C20H28O3/c1-13(2)15-9-14(11-21)16(10-17(15)23)20(5)8-6-7-19(3,4)18(20)12-22/h9-13,18,23H,6-8H2,1-5H3/t18-,20?/m0/s1
InChIKey WFKAJHXRTWDPAT-LROBGIAVSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DcoK7vPCszt
Name 12-Hydroxy-6,7-secoabieta-8,11,13-triene-6,7-dial
Alternate Name(s) 2-((S)-2-Formyl-1,3,3-trimethyl-cyclohexyl)-4-hydroxy-5-isopropyl-benzaldehyde 2-[(2S)-2-formyl-1,3,3-trimethylcyclohexyl]-4-hydroxy-5-isopropylbenzaldehyde
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Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-13(2)15-9-14(11-21)16(10-17(15)23)20(5)8-6-7-19(3,4)18(20)12-22/h9-13,18,23H,6-8H2,1-5H3/t18-,20?/m0/s1
InChIKey WFKAJHXRTWDPAT-LROBGIAVSA-N
Molecular Weight 316.441 g/mol
SMILES Oc1c(C(C)C)cc(c(C2([C@](C(C)(C)CCC2)(C=O)[H])C)c1)C=O
SPLASH splash10-0udi-0093000000-e1bbc1bb4f85eb483242
Source of Spectrum QA-33-248-14
Wiley ID 860981