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(5-(Acetyloxy)-1-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl)methyl benzoate
SpectraBase Compound ID EyhGHh68fTK
InChI InChI=1S/C32H36O15/c1-16(33)40-15-25-27(43-18(3)35)28(44-19(4)36)29(45-20(5)37)32(46-25)47-31-26-22(14-41-30(38)21-9-7-6-8-10-21)13-24(42-17(2)34)23(26)11-12-39-31/h6-13,23-29,31-32H,14-15H2,1-5H3/t23?,24?,25-,26?,27-,28+,29-,31?,32+/m0/s1
InChIKey SCYKDFPUXMLTOZ-HVGMLSJESA-N
Mol Weight 660.6 g/mol
Molecular Formula C32H36O15
Exact Mass 660.20542 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5NbMi2lINOk
Name (5-(Acetyloxy)-1-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl)methyl benzoate
Alternate Name(s) .beta.-d-Glucopyranoside, 5-(acetyloxy)-7-[(benzoyloxy)methyl]-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl, tetraacetate, [1S-(1.alpha.,4a.alpha.,5.alpha.,7a.alpha)] [5-acetoxy-1-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl benzoate [5-acetyloxy-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl benzoate benzoic acid [5-acetyloxy-1-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl ester
CAS Registry Number 55378-81-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H36O15
InChI InChI=1S/C32H36O15/c1-16(33)40-15-25-27(43-18(3)35)28(44-19(4)36)29(45-20(5)37)32(46-25)47-31-26-22(14-41-30(38)21-9-7-6-8-10-21)13-24(42-17(2)34)23(26)11-12-39-31/h6-13,23-29,31-32H,14-15H2,1-5H3/t23?,24?,25-,26?,27-,28+,29-,31?,32+/m0/s1
InChIKey SCYKDFPUXMLTOZ-HVGMLSJESA-N
Molecular Weight 660.625 g/mol
SMILES C(=O)(O[C@]1([C@@]([C@]([C@@](O[C@@]1(OC1OC=CC2C(C=C(C12)COC(=O)c1ccccc1)OC(=O)C)[H])(COC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])[H])C
SPLASH splash10-05o3-3912000000-4e7ed0c3971480765f1d
Wiley ID 1485394