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

*Links on SpectraBase are not permalinks.

N-Caproyl-N-deacetylcolchinol, acetate

View entire compound with spectra: 1 NMR

N-Caproyl-N-deacetylcolchinol, acetate
SpectraBase Compound ID 1pwgc1wypRr
InChI InChI=1S/C26H33NO6/c1-6-7-8-9-23(29)27-21-13-10-17-14-22(30-3)25(31-4)26(32-5)24(17)19-12-11-18(15-20(19)21)33-16(2)28/h11-12,14-15,21H,6-10,13H2,1-5H3,(H,27,29)
InChIKey UTVQJPZAQXSOND-UHFFFAOYSA-N
Mol Weight 455.6 g/mol
Molecular Formula C26H33NO6
Exact Mass 455.230788 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID Ll9Fqs2fk7O
Name N-Caproyl-N-deacetylcolchinol, acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 455.230787781 u
Formula C26H33NO6
InChI InChI=1S/C26H33NO6/c1-6-7-8-9-23(29)27-21-13-10-17-14-22(30-3)25(31-4)26(32-5)24(17)19-12-11-18(15-20(19)21)33-16(2)28/h11-12,14-15,21H,6-10,13H2,1-5H3,(H,27,29)
InChIKey UTVQJPZAQXSOND-UHFFFAOYSA-N
Molecular Weight 455.551 g/mol
SMILES C1=2CCC(C=3C(C2C(=C(C(=C1)OC)OC)OC)=CC=C(C3)OC(=O)C)NC(CCCCC)=O