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.beta.-D-Glucopyranoside, 2-[(benzoyloxy)methyl]-4-hydroxyphenyl, pentaacetate
SpectraBase Compound ID 6qd8Ky062S3
InChI InChI=1S/C30H32O14/c1-16(31)37-15-25-26(40-18(3)33)27(41-19(4)34)28(42-20(5)35)30(44-25)43-24-12-11-23(39-17(2)32)13-22(24)14-38-29(36)21-9-7-6-8-10-21/h6-13,25-28,30H,14-15H2,1-5H3
InChIKey ORVFWCUSTYLGLY-UHFFFAOYSA-N
Mol Weight 616.6 g/mol
Molecular Formula C30H32O14
Exact Mass 616.179206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6I9pwEn1dH1
Name .beta.-D-Glucopyranoside, 2-[(benzoyloxy)methyl]-4-hydroxyphenyl, pentaacetate
CAS Registry Number 18265-35-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H32O14
InChI InChI=1S/C30H32O14/c1-16(31)37-15-25-26(40-18(3)33)27(41-19(4)34)28(42-20(5)35)30(44-25)43-24-12-11-23(39-17(2)32)13-22(24)14-38-29(36)21-9-7-6-8-10-21/h6-13,25-28,30H,14-15H2,1-5H3
InChIKey ORVFWCUSTYLGLY-UHFFFAOYSA-N
Molecular Weight 616.572 g/mol
SMILES CC(=O)OCC1C(C(C(C(O1)Oc1ccc(cc1COC(c1ccccc1)=O)OC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O
SPLASH splash10-05mo-5901000000-e8bb8d8508ec66b47a76
Source of Spectrum AD-0-1976-0
Synonyms 5-(Acetyloxy)-2-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]benzyl benzoate Salireposide, pentaacetate [5-acetoxy-2-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-phenyl]methyl benzoate [5-acetyloxy-2-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-phenyl]methyl benzoate benzoic acid [5-acetyloxy-2-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]phenyl]methyl ester [5-acetyloxy-2-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]methyl benzoate
Wiley ID 65495