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ILQLITDRYFHAGM-ODFWGIBRSA-N
SpectraBase Compound ID 2F2QIijcCSk
InChI InChI=1S/C20H28O3/c1-18(2,23)14-7-8-15-13(12-14)6-9-16-19(15,3)10-5-11-20(16,4)17(21)22/h7-8,12,16,23H,5-6,9-11H2,1-4H3,(H,21,22)/t16?,19-,20-/m1/s1
InChIKey ILQLITDRYFHAGM-ODFWGIBRSA-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 17kMAWKFlEV
Name 15-Hydroxydehydroabietic acid
CAS Registry Number 54113-95-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-18(2,23)14-7-8-15-13(12-14)6-9-16-19(15,3)10-5-11-20(16,4)17(21)22/h7-8,12,16,23H,5-6,9-11H2,1-4H3,(H,21,22)/t16?,19-,20-/m1/s1
InChIKey ILQLITDRYFHAGM-ODFWGIBRSA-N
Molecular Weight 316.441 g/mol
SMILES OC([C@]1(C2[C@@](c3ccc(C(O)(C)C)cc3CC2)(CCC1)C)C)=O
SPLASH splash10-0udi-0359000000-1f324bdcf6733252f58b
Source of Spectrum U-1992-917-6
Synonyms (1R,4aS)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid (1R,4aS)-1,4a-dimethyl-7-(2-oxidanylpropan-2-yl)-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
Wiley ID 764423