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7-Hydroxymethyl-8-oxo-5-(3,4,5-trimethoxy-phenyl)-5,6,7,8-tetrahydro-naphtho[2,3-d][1,3]dioxole-6- carboxylic acid tert-butyl ester
SpectraBase Compound ID DIJl3tOeZP9
InChI InChI=1S/C26H30O9/c1-26(2,3)35-25(29)22-16(11-27)23(28)15-10-18-17(33-12-34-18)9-14(15)21(22)13-7-19(30-4)24(32-6)20(8-13)31-5/h7-10,16,21-22,27H,11-12H2,1-6H3/t16-,21+,22-/m0/s1
InChIKey KKOYNDDHSJTHMN-USCONSEESA-N
Mol Weight 486.52 g/mol
Molecular Formula C26H30O9
Exact Mass 486.188983 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID nZd17kKMy
Name 7-Hydroxymethyl-8-oxo-5-(3,4,5-trimethoxy-phenyl)-5,6,7,8-tetrahydro-naphtho[2,3-d][1,3]dioxole-6- carboxylic acid tert-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30O9
InChI InChI=1S/C26H30O9/c1-26(2,3)35-25(29)22-16(11-27)23(28)15-10-18-17(33-12-34-18)9-14(15)21(22)13-7-19(30-4)24(32-6)20(8-13)31-5/h7-10,16,21-22,27H,11-12H2,1-6H3/t16-,21+,22-/m0/s1
InChIKey KKOYNDDHSJTHMN-USCONSEESA-N
Literature Reference DOI 10.1021/ol0630954
Molecular Weight 486.517 g/mol
SMILES OC[C@@]1(C(c2c([C@@](c3cc(c(OC)c(OC)c3)OC)([C@]1(C(=O)OC(C)(C)C)[H])[H])cc1OCOc1c2)=O)[H]
SPLASH splash10-0pvr-0329700000-33cb6972e3a34d27e98b
Source of Spectrum A1-9-1199/SM9-12
Synonyms (5R,6R,7R)-tert-butyl 7-(hydroxymethyl)-8-oxo-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxole-6-carboxylate (5R,6R,7R)-7-(hydroxymethyl)-8-oxo-5-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-benzo[f][1,3]benzodioxole-6-carboxylic acid tert-butyl ester tert-Butyl (5R,6R,7R)-7-(hydroxymethyl)-8-oxo-5-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-benzo[f][1,3]benzodioxole-6-carboxylate tert-Butyl (5R,6R,7R)-7-(hydroxymethyl)-8-oxidanylidene-5-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-benzo[f][1,3]benzodioxole-6-carboxylate
Wiley ID 1757912