(7R,8S)-7,8-Dihydroxy-3,7-dimethyl-6-oxo-7,8-dihydro-6H-isochromene-5-carbaldehyde

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Systematic / IUPAC Name: (7R,8S)-7,8-Dihydroxy-3,7-dimethyl-6-oxo-7,8-dihydro-6H-isochromene-5-carbaldehyde

ID: Reference7556

Other Names: Austadiol;
Austdiol;
Austidiol;
(7R,8S)-7,8-Dihydro-7,8-dihydroxy-3,7-dimethyl-6-oxo-6H-2-benzopyran-5-carbaldehyde;
(7R-E)-7,8-Dihydro-7,8-dihydroxy-3,7-dimethyl-6-oxo-6H-2-benzopyran-5-carboxaldehyde

Formula: C12H12O5

Spectral Data

(7R,8S)-7,8-Dihydroxy-3,7-dimethyl-6-oxo-7,8-dihydro-6H-isochromene-5-carbaldehyde 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
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 3/15/2018 3:33:30 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C12H12O5/c1-6-3-7-8(4-13)10(14)12(2,16)11(15)9(7)5-17-6/h3-5,11,15-16H,1-2H3/t11-,12-/m0/s1
InChI Key QVMUHZHZYCDMAI-RYUDHWBXSA-N
Canonical SMILES CC1=CC2=C(C(=O)C(C(C2=CO1)O)(C)O)C=O
CAS
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Other Names Austadiol;
Austdiol;
Austidiol;
(7R,8S)-7,8-Dihydro-7,8-dihydroxy-3,7-dimethyl-6-oxo-6H-2-benzopyran-5-carbaldehyde;
(7R-E)-7,8-Dihydro-7,8-dihydroxy-3,7-dimethyl-6-oxo-6H-2-benzopyran-5-carboxaldehyde;
6H-2-Benzopyran-5-carboxaldehyde, 7,8-dihydro-7,8-dihydroxy-3,7-dimethyl-6-oxo-, (7R,8S)-

In Other Databases

ChemIDPlus 053043280
PubChem 40604
ChEMBL CHEMBL1976714
ChemSpider 37098