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1.beta.-Hydroxy-dehydroabietic Acid

View entire compound with spectra: 2 NMR, and 1 MS (GC)

1.beta.-Hydroxy-dehydroabietic Acid
SpectraBase Compound ID KQrQyR8PUxa
InChI InChI=1S/C20H28O3/c1-12(2)13-5-7-15-14(11-13)6-8-16-19(3,18(22)23)10-9-17(21)20(15,16)4/h5,7,11-12,16-17,21H,6,8-10H2,1-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1
InChIKey ZBSNELCVDQKODS-ONCXSQPRSA-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 AGVbQ3myYnc
Name 1.beta.-Hydroxy-dehydroabietic Acid
Alternate Name(s) (1R,4R,4aS,10aR)-4-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid (1R,4R,4aS,10aR)-1,4a-dimethyl-4-oxidanyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
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Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-12(2)13-5-7-15-14(11-13)6-8-16-19(3,18(22)23)10-9-17(21)20(15,16)4/h5,7,11-12,16-17,21H,6,8-10H2,1-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1
InChIKey ZBSNELCVDQKODS-ONCXSQPRSA-N
Molecular Weight 316.441 g/mol
SMILES OC([C@]1([C@]2([C@]([C@@](CC1)(O)[H])(c1c(CC2)cc(cc1)C(C)C)C)[H])C)=O
SPLASH splash10-00kr-0903000000-1cf65337ad79e74e0bd7
Source of Spectrum G4-70-158-2
Wiley ID 1694908