5-(4-Carboxy-3-methylbutyl)-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylic acid

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Systematic / IUPAC Name: 5-(4-Carboxy-3-methylbutyl)-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylic acid

ID: Reference7533

Other Names: Dihydroagathic acid;
1-Naphthalenepentanoic acid, 5-carboxydecahydro-β,5,8a-trimethyl-2-methylene-

Formula: C20H32O4

Spectral Data

5-(4-Carboxy-3-methylbutyl)-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 3
No. of Spectra 1529
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/13/2018 3:23:13 PM
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Identificators

InChI InChI=1S/C20H32O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h13,15-16H,2,5-12H2,1,3-4H3,(H,21,22)(H,23,24)
InChI Key HPQKNJHVWUWAOR-UHFFFAOYSA-N
Canonical SMILES CC(CCC1C(=C)CCC2C1(CCCC2(C)C(=O)O)C)CC(=O)O
CAS
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Other Names Dihydroagathic acid;
1-Naphthalenepentanoic acid, 5-carboxydecahydro-β,5,8a-trimethyl-2-methylene-

In Other Databases

ChemSpider 502556
PubChem 578152