Polygodial

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Systematic / IUPAC Name: (1R,4aS,8aS)-5,5,8a-Trimethyl-1,4,4a,5,6,7,8,8a-octahydro-1,2-naphthalenedicarbaldehyde

ID: Reference5861

Other Names: (-)-Polygodial;
(-)-Tadeonal;
Drim-7-ene-11,12-dial;
Poligodial;
Tadeodal ; more

Formula: C15H22O2

Class: Endogenous Metabolites

Spectral Data

Polygodial 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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/31/2016 8:23:59 AM
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Identificators

InChI InChI=1S/C15H22O2/c1-14(2)7-4-8-15(3)12(10-17)11(9-16)5-6-13(14)15/h5,9-10,12-13H,4,6-8H2,1-3H3/t12-,13-,15+/m0/s1
InChI Key AZJUJOFIHHNCSV-KCQAQPDRSA-N
Canonical SMILES CC1(CCCC2(C1CC=C(C2C=O)C=O)C)C
CAS 6754207
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Other Names (-)-Polygodial;
(-)-Tadeonal;
Drim-7-ene-11,12-dial;
Poligodial;
Tadeodal;
Tadeonal;
(1R,4as,8as)-5,5,8a-Trimethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalene-1,2-dicarbaldehyde;
(1R,4aS,8aS)-5,5,8a-Trimethyl-1,4,4a,6,7,8-hexahydronaphthalene-1,2-dicarbaldehyde;
1,2-Naphthalenedicarboxaldehyde, 1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, (2R,4aS,8aS)-;
1,4,4a,5,6,7,8,8a-Octahydro-5,5,8a-trimethyl-1,2-naphthalenedicarboxaldehyde

In Other Databases

PubChem 72503
ChemIDPlus 006754207
ChEBI CHEBI:8305
KEGG C09712
Wikipedia Polygodial
ChemSpider 65414
ChEMBL CHEMBL254550