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Symplocoside heptaacetate

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Symplocoside heptaacetate
SpectraBase Compound ID yHciVnMzgr
InChI InChI=1S/C36H40O18/c1-16(37)45-15-31-33(49-20(5)41)34(50-21(6)42)35(51-22(7)43)36(54-31)52-24-12-27(47-18(3)39)25-14-30(48-19(4)40)32(53-28(25)13-24)23-9-10-26(46-17(2)38)29(11-23)44-8/h9-13,30-36H,14-15H2,1-8H3/t30?,31-,32?,33-,34+,35-,36?/m1/s1
InChIKey YOKIRLOUHPESDJ-HYYGSXATSA-N
Mol Weight 760.7 g/mol
Molecular Formula C36H40O18
Exact Mass 760.221464 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AB2ZFlLtQaG
Name Symplocoside heptaacetate
CAS Registry Number 76491-14-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C36H40O18
InChI InChI=1S/C36H40O18/c1-16(37)45-15-31-33(49-20(5)41)34(50-21(6)42)35(51-22(7)43)36(54-31)52-24-12-27(47-18(3)39)25-14-30(48-19(4)40)32(53-28(25)13-24)23-9-10-26(46-17(2)38)29(11-23)44-8/h9-13,30-36H,14-15H2,1-8H3/t30?,31-,32?,33-,34+,35-,36?/m1/s1
InChIKey YOKIRLOUHPESDJ-HYYGSXATSA-N
Instrument Name Bruker WH-90
Literature Reference R. Tschesche, T. Braun, Phytochem. 19, 1825 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3