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(5S,6R,7R,8R)-5-hydroxy-8-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6,7-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 4niRwDfFLI1
InChI InChI=1S/C24H26O10/c1-28-16-6-11(7-17(29-2)22(16)30-3)18-12-8-14-15(34-10-33-14)9-13(12)21(25)20(24(27)32-5)19(18)23(26)31-4/h6-9,18-21,25H,10H2,1-5H3/t18-,19-,20-,21-/m1/s1
InChIKey YPIVRLSKIFDXNC-XRXFAXGQSA-N
Mol Weight 474.46 g/mol
Molecular Formula C24H26O10
Exact Mass 474.152597 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LW6VUDNSG9t
Name (5S,6R,7R,8R)-5-hydroxy-8-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6,7-dicarboxylic acid dimethyl ester
CAS Registry Number 122871-75-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H26O10
InChI InChI=1S/C24H26O10/c1-28-16-6-11(7-17(29-2)22(16)30-3)18-12-8-14-15(34-10-33-14)9-13(12)21(25)20(24(27)32-5)19(18)23(26)31-4/h6-9,18-21,25H,10H2,1-5H3/t18-,19-,20-,21-/m1/s1
InChIKey YPIVRLSKIFDXNC-XRXFAXGQSA-N
Molecular Weight 474.462 g/mol
SMILES O[C@@]1(c2c(cc3c(c2)OCO3)[C@]([C@]([C@]1(C(=O)OC)[H])(C(=O)OC)[H])(c1cc(OC)c(c(c1)OC)OC)[H])[H]
SPLASH splash10-0r01-0046900000-fec9d42f97434db8c1f2
Source of Spectrum J-54-4288-16
Synonyms Dimethyl (5S,6R,7R,8R)-5-hydroxy-8-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6,7-dicarboxylate Dimethyl (5S,6R,7R,8R)-5-oxidanyl-8-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6,7-dicarboxylate
Wiley ID 1393798