13-Isogrindelic acid

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Systematic / IUPAC Name: 2-[(2'R,4aS,8R,8aS)-2',4,4,7,8a-Pentamethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,5'-oxolane]-2'-yl]acetic acid

ID: Reference7809

Other Names:

Formula: C20H32O3

Spectral Data

13-Isogrindelic 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 2
No. of Spectra 639
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/19/2018 11:38:33 AM
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Identificators

InChI InChI=1S/C20H32O3/c1-14-7-8-15-17(2,3)9-6-10-19(15,5)20(14)12-11-18(4,23-20)13-16(21)22/h7,15H,6,8-13H2,1-5H3,(H,21,22)/t15-,18+,19-,20+/m0/s1
InChI Key XLWWERNKTLITEF-JOCLIGHLSA-N
Canonical SMILES CC1=CCC2C(CCCC2(C13CCC(O3)(C)CC(=O)O)C)(C)C
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Other Names

In Other Databases

PubChem 15559587