(3R,4S)-4,6,8-Trihydroxy-7-methoxy-3-methyl-3,4-dihydro-1H-isochromen-1-one

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Systematic / IUPAC Name: (3R,4S)-4,6,8-Trihydroxy-7-methoxy-3-methyl-3,4-dihydroisochromen-1-one

ID: Reference7615

Other Names: 1H-2-Benzopyran-1-one, 3,4-dihydro-4,6,8-trihydroxy-7-methoxy-3-methyl-, (3R,4S)-;
(3R,4S)-4,6,8-trihydroxy-7-methoxy-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one

Formula: C11H12O6

Spectral Data

(3R,4S)-4,6,8-Trihydroxy-7-methoxy-3-methyl-3,4-dihydro-1H-isochromen-1-one 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 3213
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/26/2018 5:50:28 AM
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Identificators

InChI InChI=1S/C11H12O6/c1-4-8(13)5-3-6(12)10(16-2)9(14)7(5)11(15)17-4/h3-4,8,12-14H,1-2H3/t4-,8-/m1/s1
InChI Key ZLLQQKITWRWKTD-SPGJFGJESA-N
Canonical SMILES CC1C(C2=CC(=C(C(=C2C(=O)O1)O)OC)O)O
CAS
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Other Names 1H-2-Benzopyran-1-one, 3,4-dihydro-4,6,8-trihydroxy-7-methoxy-3-methyl-, (3R,4S)-;
(3R,4S)-4,6,8-trihydroxy-7-methoxy-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one

In Other Databases

PubChem 25774975
ChemSpider 29814443