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4H-1-Benzopyran-4-one, 5-(acetyloxy)-2-[3-(acetyloxy)-4-methoxyphenyl]-7-[[6-O-(6-deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-glucopyranosyl]oxy]-

View entire compound with spectra: 1 MS (GC)

4H-1-Benzopyran-4-one, 5-(acetyloxy)-2-[3-(acetyloxy)-4-methoxyphenyl]-7-[[6-O-(6-deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-glucopyranosyl]oxy]-
SpectraBase Compound ID Hvis3DQVUjN
InChI InChI=1S/C32H36O17/c1-12-25(36)27(38)29(40)31(44-12)43-11-23-26(37)28(39)30(41)32(49-23)47-16-8-21(46-14(3)34)24-17(35)10-19(48-22(24)9-16)15-5-6-18(42-4)20(7-15)45-13(2)33/h5-10,12,23,25-32,36-41H,11H2,1-4H3
InChIKey JSSMSJWCJCPBFL-UHFFFAOYSA-N
Mol Weight 692.6 g/mol
Molecular Formula C32H36O17
Exact Mass 692.19525 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2UiblXtvWVs
Name 4H-1-Benzopyran-4-one, 5-(acetyloxy)-2-[3-(acetyloxy)-4-methoxyphenyl]-7-[[6-O-(6-deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-glucopyranosyl]oxy]-
Alternate Name(s) 5-(5-(Acetyloxy)-7-([6-O-(6-deoxyhexopyranosyl)hexopyranosyl]oxy)-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl acetate Acetic acid [2-(3-acetyloxy-4-methoxyphenyl)-4-oxo-7-[[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxymethyl]-2-oxanyl]oxy]-1-benzopyran-5-yl] ester [2-(3-acetyloxy-4-methoxyphenyl)-4-oxo-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-5-yl] acetate [2-(3-acetoxy-4-methoxy-phenyl)-4-oxo-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]tetrahydropyran-2-yl]oxy-chromen-5-yl] acetate [2-(3-acetyloxy-4-methoxy-phenyl)-7-[6-[[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanylidene-chromen-5-yl] ethanoate
CAS Registry Number 57408-39-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H36O17
InChI InChI=1S/C32H36O17/c1-12-25(36)27(38)29(40)31(44-12)43-11-23-26(37)28(39)30(41)32(49-23)47-16-8-21(46-14(3)34)24-17(35)10-19(48-22(24)9-16)15-5-6-18(42-4)20(7-15)45-13(2)33/h5-10,12,23,25-32,36-41H,11H2,1-4H3
InChIKey JSSMSJWCJCPBFL-UHFFFAOYSA-N
Molecular Weight 692.623 g/mol
SMILES OC1C(OC(C(C1O)O)COC1C(C(C(C(C)O1)O)O)O)Oc1cc2c(C(C=C(c3ccc(c(c3)OC(C)=O)OC)O2)=O)c(c1)OC(C)=O
SPLASH splash10-0f6x-9425000000-9c7bd9856e553cf24e5c
Source of Spectrum EP-8735-0-0
Wiley ID 1414779