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Abietinic acid
SpectraBase Compound ID JS4SdCuErwf
InChI InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17?,19?,20+/m0/s1
InChIKey RSWGJHLUYNHPMX-CLPROHDKSA-N
Mol Weight 302.46 g/mol
Molecular Formula C20H30O2
Exact Mass 302.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7FNXQMFXLjA
Name Abietinic acid
CAS Registry Number 514-10-3
Classification Resin acid
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 302.224580204 u
Formula C20H30O2
InChI InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17?,19?,20+/m0/s1
InChIKey RSWGJHLUYNHPMX-CLPROHDKSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 302.458 g/mol
Nominal Mass 302 u
Quality 996
Retention Index 2473
SMILES OC([C@]1(C2C([C@@]3(C(=CC2)C=C(CC3)C(C)C)[H])(CCC1)C)C)=O
SPLASH splash10-052f-4920000000-b40b72e093b318e2dd42
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Abietic acid 13-Isopropylpodocarpa-7,13-dien-15-oic acid
Technique GC/MS
Wiley ID DD2024_000014