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7-Formyl-5-(3,4,5-trimethoxy-phenyl)-5,6-dihydro-naphtho [2,3-d][1,3]dioxole-6-carboxylic acid ter t-butyl ester
SpectraBase Compound ID FSy8zZqP6KE
InChI InChI=1S/C26H28O8/c1-26(2,3)34-25(28)23-16(12-27)7-14-8-18-19(33-13-32-18)11-17(14)22(23)15-9-20(29-4)24(31-6)21(10-15)30-5/h7-12,22-23H,13H2,1-6H3/t22-,23+/m1/s1
InChIKey MHSCKECOLHKSGN-PKTZIBPZSA-N
Mol Weight 468.5 g/mol
Molecular Formula C26H28O8
Exact Mass 468.178418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID InRDuC80JUk
Name 7-Formyl-5-(3,4,5-trimethoxy-phenyl)-5,6-dihydro-naphtho [2,3-d][1,3]dioxole-6-carboxylic acid ter t-butyl ester
Alternate Name(s) (5R,6R)-tert-butyl 7-formyl-5-(3,4,5-trimethoxyphenyl)-5,6-dihydronaphtho[2,3-d][1,3]dioxole-6-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28O8
InChI InChI=1S/C26H28O8/c1-26(2,3)34-25(28)23-16(12-27)7-14-8-18-19(33-13-32-18)11-17(14)22(23)15-9-20(29-4)24(31-6)21(10-15)30-5/h7-12,22-23H,13H2,1-6H3/t22-,23+/m1/s1
InChIKey MHSCKECOLHKSGN-PKTZIBPZSA-N
Literature Reference DOI 10.1021/ol0630954
Molecular Weight 468.502 g/mol
SMILES c1c2[C@@](c3cc(c(c(c3)OC)OC)OC)([C@@](C(=O)OC(C)(C)C)(C(C=O)=Cc2cc2OCOc12)[H])[H]
SPLASH splash10-014i-0119100000-acbf7bb36d9a9d32fc13
Source of Spectrum A1-9-1199/SM7-9
Wiley ID 1757922