5,8-Dihydroxy-4-oxo-1,2,3,4-tetrahydro-1-naphthalenyl 6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside

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Systematic / IUPAC Name: 5,8-Dihydroxy-4-oxo-1,2,3,4-tetrahydro-1-naphthalenyl 6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside

ID: Reference7390

Other Names: 1(2H)-Naphthalenone, 3,4-dihydro-5,8-dihydroxy-4-{[6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy}- ;
{(2R,3S,4S,5R,6R)-6-[(5,8-Dihydroxy-4-oxo-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3,4,5-trihydroxybenzoate

Formula: C23H24O13

Spectral Data

5,8-Dihydroxy-4-oxo-1,2,3,4-tetrahydro-1-naphthalenyl 6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside 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 3
No. of Spectra 2360
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 2/13/2018 8:39:27 AM
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Identificators

InChI InChI=1S/C23H24O13/c24-9-1-2-11(26)17-14(4-3-10(25)16(9)17)35-23-21(32)20(31)19(30)15(36-23)7-34-22(33)8-5-12(27)18(29)13(28)6-8/h1-2,5-6,14-15,19-21,23-24,26-32H,3-4,7H2/t14?,15-,19-,20+,21-,23-/m1/s1
InChI Key LWONLPZQFYNCMG-ATSIEDNJSA-N
Canonical SMILES C1CC(=O)C2=C(C=CC(=C2C1OC3C(C(C(C(O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O)O)O
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Other Names 1(2H)-Naphthalenone, 3,4-dihydro-5,8-dihydroxy-4-{[6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy}- ;
{(2R,3S,4S,5R,6R)-6-[(5,8-Dihydroxy-4-oxo-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3,4,5-trihydroxybenzoate

In Other Databases

PubChem 60208892
ChemSpider 29814794