For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR, and 1 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BrYPdNitLlK
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
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 486.188982537 u
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
Molecular Weight 486.517 g/mol
SMILES C1=C2[C@@](C=3C=C(C(OC)=C(OC)C3)OC)([C@@](C(=O)OC(C)(C)C)([C@@](C(C2=CC=2OCOC12)=O)(CO)[H])[H])[H]