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12-.alpha.-Hydroxyabietic acid

View entire compound with spectra: 1 MS (GC)

12-.alpha.-Hydroxyabietic acid
SpectraBase Compound ID 6G4hQZx7rtD
InChI InChI=1S/C20H30O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h6,10,12,15-17,21H,5,7-9,11H2,1-4H3,(H,22,23)/t15-,16-,17+,19+,20+/m0/s1
InChIKey DYNISIGUMYFVJW-OCBLOMHFSA-N
Mol Weight 318.46 g/mol
Molecular Formula C20H30O3
Exact Mass 318.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KK84qHVuFK5
Name 12-.alpha.-Hydroxyabietic acid
Alternate Name(s) (4beta,12alpha)-12-hydroxyabieta-7,13-dien-18-oic acid (1R,4aR,4bR,6S,10aR)-6-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid (1R,4aR,4bR,6S,10aR)-1,4a-dimethyl-6-oxidanyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
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Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h6,10,12,15-17,21H,5,7-9,11H2,1-4H3,(H,22,23)/t15-,16-,17+,19+,20+/m0/s1
InChIKey DYNISIGUMYFVJW-OCBLOMHFSA-N
Molecular Weight 318.457 g/mol
SMILES O[C@@]1(C(=CC=2[C@@]([C@@]3([C@]([C@](C(=O)O)(CCC3)C)(CC2)[H])C)(C1)[H])C(C)C)[H]
SPLASH splash10-004i-0091000000-c7c29f596118769b12c2
Source of Spectrum U-1992-918-8
Wiley ID 764417