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(5R,6S,7R,8R)-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carbohydrazide

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

(5R,6S,7R,8R)-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carbohydrazide
SpectraBase Compound ID IbcudTdebuL
InChI InChI=1S/C22H26N2O8/c1-28-16-4-10(5-17(29-2)21(16)30-3)18-11-6-14-15(32-9-31-14)7-12(11)20(26)13(8-25)19(18)22(27)24-23/h4-7,13,18-20,25-26H,8-9,23H2,1-3H3,(H,24,27)/t13-,18+,19+,20-/m0/s1
InChIKey ZCEIRDQCMJGVDA-HAEOHBJNSA-N
Mol Weight 446.46 g/mol
Molecular Formula C22H26N2O8
Exact Mass 446.168916 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ihA6lny51O
Name (5R,6S,7R,8R)-8-Hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[F][1,3]benzodioxole-6-carbohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.168915797 u
Formula C22H26N2O8
InChI InChI=1S/C22H26N2O8/c1-28-16-4-10(5-17(29-2)21(16)30-3)18-11-6-14-15(32-9-31-14)7-12(11)20(26)13(8-25)19(18)22(27)24-23/h4-7,13,18-20,25-26H,8-9,23H2,1-3H3,(H,24,27)/t13-,18+,19+,20-/m0/s1
InChIKey ZCEIRDQCMJGVDA-HAEOHBJNSA-N
Molecular Weight 446.456 g/mol
SMILES C1=2C(=CC3=C(C2)[C@@]([C@]([C@]([C@@]3(C=2C=C(C(=C(C2)OC)OC)OC)[H])(C(=O)NN)[H])(CO)[H])(O)[H])OCO1