Abietic acid

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Systematic / IUPAC Name: Abieta-7,13-dien-18-oic acid

ID: Reference7296

Other Names: (-)-Abietic acid;
7,13-Abietadien-18-oic acid;
Abietate;
Abietinic acid;
L-Abietic acid ; more

Formula: C20H30O2

Class: Extractables/Leachables

Spectral Data

Abietic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 2
No. of Spectra 3084
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/28/2018 9:54:56 AM
View Mass Spec Data > >

Identificators

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
InChI Key RSWGJHLUYNHPMX-ONCXSQPRSA-N
Canonical SMILES CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)O)C
CAS 514103
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Other Names (-)-Abietic acid;
7,13-Abietadien-18-oic acid;
Abietate;
Abietinic acid;
L-Abietic acid;
Rosin acid;
Sylvic acid;
(1R,4aR,4bR,10aR)-1,4a-Dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylic acid;
(1R,4aR,4bR,10aR)-1,4a-Dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid;
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl-)-;
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aR,4bR,10aR)-;
Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-

In Other Databases

PubChem 10569
ChemSpider 10127
ChEMBL CHEMBL71893
ChemIDPlus 000514103; 009007130; 010248552; 013463984; 014351667; 006798761; 054675762
Wikipedia Abietic acid
ChEBI CHEBI:28987
KEGG C06087