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Naphtho[2,3-d]-1,3-dioxole-6-carboxylic acid, 5,6-dihydro-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-, methyl ester, cis-(.+-.)-

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Naphtho[2,3-d]-1,3-dioxole-6-carboxylic acid, 5,6-dihydro-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-, methyl ester, cis-(.+-.)-
SpectraBase Compound ID KflvkJ3furq
InChI InChI=1S/C23H24O8/c1-26-18-7-13(8-19(27-2)22(18)28-3)20-15-9-17-16(30-11-31-17)6-12(15)5-14(10-24)21(20)23(25)29-4/h5-9,20-21,24H,10-11H2,1-4H3/t20-,21+/m1/s1
InChIKey KKQMQYZIOMFSMC-RTWAWAEBSA-N
Mol Weight 428.44 g/mol
Molecular Formula C23H24O8
Exact Mass 428.147118 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E9FDtsmENTK
Name Naphtho[2,3-D]-1,3-dioxole-6-carboxylic acid, 5,6-dihydro-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-, methyl ester, cis-(.+-.)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.147117725 u
Formula C23H24O8
InChI InChI=1S/C23H24O8/c1-26-18-7-13(8-19(27-2)22(18)28-3)20-15-9-17-16(30-11-31-17)6-12(15)5-14(10-24)21(20)23(25)29-4/h5-9,20-21,24H,10-11H2,1-4H3/t20-,21+/m1/s1
InChIKey KKQMQYZIOMFSMC-RTWAWAEBSA-N
Molecular Weight 428.437 g/mol
SMILES C=12[C@@](C=3C=C(OC)C(=C(C3)OC)OC)([C@@](C(=O)OC)(C(=CC1C=C1C(=C2)OCO1)CO)[H])[H]