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15-HYDROXYABIETIC-ACID-METHYLESTER

View entire compound with spectra: 1 NMR, and 1 MS (GC)

15-HYDROXYABIETIC-ACID-METHYLESTER
SpectraBase Compound ID 4hBqPx21XC4
InChI InChI=1S/C21H32O3/c1-19(2,23)15-8-9-16-14(13-15)7-10-17-20(16,3)11-6-12-21(17,4)18(22)24-5/h7,13,16-17,23H,6,8-12H2,1-5H3/t16-,17+,20+,21+/m0/s1
InChIKey MNVNTVWDBWQQCE-XWDORNJCSA-N
Mol Weight 332.5 g/mol
Molecular Formula C21H32O3
Exact Mass 332.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L0nyIS9pcDV
Name (1R,4aR,4bR,10aR)-7-(1-hydroxy-1-methyl-ethyl)-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid methyl ester
Alternate Name(s) (1R,4aR,4bR,10aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid methyl ester Methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(2-oxidanylpropan-2-yl)-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate Methyl (1R,4aR,4bR,10aR)-7-(1-hydroxy-1-methyl-ethyl)-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate Methyl (1R,4aR,4bR,10aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
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Formula C21H32O3
InChI InChI=1S/C21H32O3/c1-19(2,23)15-8-9-16-14(13-15)7-10-17-20(16,3)11-6-12-21(17,4)18(22)24-5/h7,13,16-17,23H,6,8-12H2,1-5H3/t16-,17+,20+,21+/m0/s1
InChIKey MNVNTVWDBWQQCE-XWDORNJCSA-N
Molecular Weight 332.484 g/mol
SMILES OC(C=1CC[C@]2(C(C1)=CC[C@@]1([C@@]2(CCC[C@]1(C(=O)OC)C)C)[H])[H])(C)C
SPLASH splash10-052r-1591000000-2dcf088886253c733c82
Source of Spectrum Va-0-0-0
Wiley ID 740171