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Methyl 12-.alpha.methoxy-abietate
SpectraBase Compound ID ADRnVGybIHB
InChI InChI=1S/C22H34O3/c1-14(2)16-12-15-8-9-19-21(3,17(15)13-18(16)24-5)10-7-11-22(19,4)20(23)25-6/h8,12,14,17-19H,7,9-11,13H2,1-6H3/t17-,18-,19?,21+,22+/m0/s1
InChIKey LISNSRNVVSLCBB-LNVAOGEYSA-N
Mol Weight 346.5 g/mol
Molecular Formula C22H34O3
Exact Mass 346.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1J0g72Xisxd
Name Methyl 12-.alpha.methoxy-abietate
Alternate Name(s) Methyl (4beta,12alpha)-12-methoxyabieta-7,13-dien-18-oate Methyl 12-.alpha.-abietate
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Formula C22H34O3
InChI InChI=1S/C22H34O3/c1-14(2)16-12-15-8-9-19-21(3,17(15)13-18(16)24-5)10-7-11-22(19,4)20(23)25-6/h8,12,14,17-19H,7,9-11,13H2,1-6H3/t17-,18-,19?,21+,22+/m0/s1
InChIKey LISNSRNVVSLCBB-LNVAOGEYSA-N
Molecular Weight 346.511 g/mol
SMILES [C@]12([C@@]3(C(C=C([C@](C3)(OC)[H])C(C)C)=CCC1[C@@](C(=O)OC)(C)CCC2)[H])C
SPLASH splash10-0udi-0619000000-5e645e046e4a51401bee
Source of Spectrum OP-25-221-13
Wiley ID 850518