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

*Links on SpectraBase are not permalinks.

.beta.-D-Glucopyranoside, (5Z)-1-methyl-3-hydroxy-5-octen-1-yl, 5ac

View entire compound with spectra: 1 NMR

.beta.-D-Glucopyranoside, (5Z)-1-methyl-3-hydroxy-5-octen-1-yl, 5ac
SpectraBase Compound ID Lhnc8yvFgcP
InChI InChI=1S/C25H38O12/c1-8-9-10-11-20(33-16(4)27)12-14(2)32-25-24(36-19(7)30)23(35-18(6)29)22(34-17(5)28)21(37-25)13-31-15(3)26/h9-10,14,20-25H,8,11-13H2,1-7H3/b10-9-/t14?,20?,21-,22-,23+,24-,25-/m1/s1
InChIKey JRXVHENACSRRFV-GRKMDXORSA-N
Mol Weight 530.6 g/mol
Molecular Formula C25H38O12
Exact Mass 530.236327 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 ApxbDGCXyk3
Name .beta.-D-Glucopyranoside, (5Z)-1-methyl-3-hydroxy-5-octen-1-yl, 5ac
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 530.236326652 u
Formula C25H38O12
InChI InChI=1S/C25H38O12/c1-8-9-10-11-20(33-16(4)27)12-14(2)32-25-24(36-19(7)30)23(35-18(6)29)22(34-17(5)28)21(37-25)13-31-15(3)26/h9-10,14,20-25H,8,11-13H2,1-7H3/b10-9-/t14?,20?,21-,22-,23+,24-,25-/m1/s1
InChIKey JRXVHENACSRRFV-GRKMDXORSA-N
Molecular Weight 530.567 g/mol
SMILES [C@@]1(OC(CC(C\C=C/CC)OC(=O)C)C)([C@](OC(=O)C)([C@@](OC(=O)C)([C@](OC(=O)C)([C@](O1)(COC(=O)C)[H])[H])[H])[H])[H]