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14.beta.-Hydroxy-13.alpha.hydroxymethyl-7,8-dimethoxy-15.beta.(3,4,5-trimethoxybenzoyloxy)alloberban

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

14.beta.-Hydroxy-13.alpha.hydroxymethyl-7,8-dimethoxy-15.beta.(3,4,5-trimethoxybenzoyloxy)alloberban
SpectraBase Compound ID 89rYfU6f5GP
InChI InChI=1S/C30H39NO9/c1-35-23-8-16-6-7-31-14-18-11-25(40-30(34)17-9-26(37-3)29(39-5)27(10-17)38-4)28(33)21(15-32)19(18)12-22(31)20(16)13-24(23)36-2/h8-10,13,18-19,21-22,25,28,32-33H,6-7,11-12,14-15H2,1-5H3
InChIKey GNROLPZPIZRXQM-UHFFFAOYSA-N
Mol Weight 557.6 g/mol
Molecular Formula C30H39NO9
Exact Mass 557.262482 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LZMgonalJXJ
Name 14.beta.-Hydroxy-13.alpha.hydroxymethyl-7,8-dimethoxy-15.beta.(3,4,5-trimethoxybenzoyloxy)alloberban
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 557.262481831 u
Formula C30H39NO9
InChI InChI=1S/C30H39NO9/c1-35-23-8-16-6-7-31-14-18-11-25(40-30(34)17-9-26(37-3)29(39-5)27(10-17)38-4)28(33)21(15-32)19(18)12-22(31)20(16)13-24(23)36-2/h8-10,13,18-19,21-22,25,28,32-33H,6-7,11-12,14-15H2,1-5H3
InChIKey GNROLPZPIZRXQM-UHFFFAOYSA-N
Molecular Weight 557.640 g/mol
SMILES C12C(C(C(C(C2)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC)O)CO)CC2N(C1)CCC1=C2C=C(C(=C1)OC)OC