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BENZOIC ACID, 7-ACETOXYMETHYL-1-(3,4,5-TRIACETOXY-6-ACETOXYMETHYLTETRAHYDROPYRAN-2-YLOXY)-1,4A,5,7A-TETRAHYDROCYCLOPENTA[c]PYRAN-5
SpectraBase Compound ID JazFzlHNK98
InChI InChI=1S/C32H36O15/c1-16(33)40-14-22-13-24(45-30(38)21-9-7-6-8-10-21)23-11-12-39-31(26(22)23)47-32-29(44-20(5)37)28(43-19(4)36)27(42-18(3)35)25(46-32)15-41-17(2)34/h6-13,23-29,31-32H,14-15H2,1-5H3
InChIKey IEAFYUQEHWXJEZ-UHFFFAOYSA-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 49LDgrWkVc4
Name BENZOIC ACID, 7-ACETOXYMETHYL-1-(3,4,5-TRIACETOXY-6-ACETOXYMETHYLTETRAHYDROPYRAN-2-YLOXY)-1,4A,5,7A-TETRAHYDROCYCLOPENTA[c]PYRAN-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C32H36O15
InChI InChI=1S/C32H36O15/c1-16(33)40-14-22-13-24(45-30(38)21-9-7-6-8-10-21)23-11-12-39-31(26(22)23)47-32-29(44-20(5)37)28(43-19(4)36)27(42-18(3)35)25(46-32)15-41-17(2)34/h6-13,23-29,31-32H,14-15H2,1-5H3
InChIKey IEAFYUQEHWXJEZ-UHFFFAOYSA-N
Molecular Weight 660.2043
SMILES C1=C(COC(C)=O)C2C(OC3C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C(COC(=O)C)O3)OC=CC2C1OC(c1ccccc1)=O
SPLASH splash10-05o3-3912000000-27d72ffc8dbedf2f27fd
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany