Graveolide

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Systematic / IUPAC Name: (3aR,4aS,7aS,8R,9aS)-4a,8-Dimethyl-3-methylenedecahydroazuleno[6,5-b]furan-2,5-dione

ID: Reference7837

Other Names: (3aR,4aS,7aS,8R,9aS)-4a,8-Dimethyl-3-methylidenedecahydroazuleno[6,5-b]furan-2,5-dione ;
Azuleno[6,5-b]furan-2,5-dione, decahydro-4a,8-dimethyl-3-methylene-, (3aR,4aS,7aS,8R,9aS)-

Formula: C15H20O3

Spectral Data

Graveolide 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 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 4/23/2018 10:29:16 AM
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Identificators

InChI InChI=1S/C15H20O3/c1-8-6-12-10(9(2)14(17)18-12)7-15(3)11(8)4-5-13(15)16/h8,10-12H,2,4-7H2,1,3H3/t8-,10-,11+,12+,15+/m1/s1
InChI Key DCKYPAZZUYXYTC-SCGWIAOYSA-N
Canonical SMILES CC1CC2C(CC3(C1CCC3=O)C)C(=C)C(=O)O2
CAS
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Other Names (3aR,4aS,7aS,8R,9aS)-4a,8-Dimethyl-3-methylidenedecahydroazuleno[6,5-b]furan-2,5-dione ;
Azuleno[6,5-b]furan-2,5-dione, decahydro-4a,8-dimethyl-3-methylene-, (3aR,4aS,7aS,8R,9aS)-

In Other Databases

ChemSpider 9218258
ChEBI CHEBI:69338
PubChem 11043090
ChEMBL CHEMBL1911138