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[1R-(1.alpha.,4a.beta.,10a.alpha.)]-1,2,3,4,4a,9,10,10a-octahydro-7-hydroxy-1,4a-dimethyl-7-(1-hydroxy-1-methylethyl)phenanthrene-1-carboxylic acid

View entire compound with spectra: 1 MS (GC)

[1R-(1.alpha.,4a.beta.,10a.alpha.)]-1,2,3,4,4a,9,10,10a-octahydro-7-hydroxy-1,4a-dimethyl-7-(1-hydroxy-1-methylethyl)phenanthrene-1-carboxylic acid
SpectraBase Compound ID 33Dzp9Z2Osm
InChI InChI=1S/C20H28O4/c1-18(2,24)12-6-7-14-13(10-12)15(21)11-16-19(14,3)8-5-9-20(16,4)17(22)23/h6-7,10,15-16,21,24H,5,8-9,11H2,1-4H3,(H,22,23)/t15-,16-,19-,20-/m1/s1
InChIKey ALGYTGOYQATWBA-XNFNUYLZSA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KUz2jQ1tRdp
Name [1R-(1.alpha.,4a.beta.,10a.alpha.)]-1,2,3,4,4a,9,10,10a-octahydro-7-hydroxy-1,4a-dimethyl-7-(1-hydroxy-1-methylethyl)phenanthrene-1-carboxylic acid
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-18(2,24)12-6-7-14-13(10-12)15(21)11-16-19(14,3)8-5-9-20(16,4)17(22)23/h6-7,10,15-16,21,24H,5,8-9,11H2,1-4H3,(H,22,23)/t15-,16-,19-,20-/m1/s1
InChIKey ALGYTGOYQATWBA-XNFNUYLZSA-N
Instrument Name Varian MAT 711
Ionization Type EI
Literature Reference DOI 10.1021/np010656l
Molecular Weight 332.440 g/mol
Optical Rotation [a]D21 = -7.7 (c = 0.27, CHCl3)
SMILES OC([C@@]1(CCC[C@]2([C@]1(C[C@](c1c2ccc(C(C)(O)C)c1)(O)[H])[H])C)C)=O
SPLASH splash10-014i-3429000000-683a687b8217ce358d51
Source of Spectrum G4-65-1534-10
Synonyms 7,15-Dihydroxydehydroabietic acid
Wiley ID 1880997