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

*Links on SpectraBase are not permalinks.

(3R,4S,5S)-4-Acetoxy-6-benzyloxymethoxy-5-methyl-3-(4-methylphenylsulfonyloxymethyl)hex-1-ene

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

(3R,4S,5S)-4-Acetoxy-6-benzyloxymethoxy-5-methyl-3-(4-methylphenylsulfonyloxymethyl)hex-1-ene
SpectraBase Compound ID 9wp5teYQu0c
InChI InChI=1S/C25H32O7S/c1-5-23(17-31-33(27,28)24-13-11-19(2)12-14-24)25(32-21(4)26)20(3)15-29-18-30-16-22-9-7-6-8-10-22/h5-14,20,23,25H,1,15-18H2,2-4H3/t20-,23+,25-/m0/s1
InChIKey DRHUGTCCCJBDKV-ZWSUVBHBSA-N
Mol Weight 476.6 g/mol
Molecular Formula C25H32O7S
Exact Mass 476.186875 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 8QkXQrFMeTh
Name (3R,4S,5S)-4-Acetoxy-6-benzyloxymethoxy-5-methyl-3-(4-methylphenylsulfonyloxymethyl)hex-1-ene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 476.186874537 u
Formula C25H32O7S
InChI InChI=1S/C25H32O7S/c1-5-23(17-31-33(27,28)24-13-11-19(2)12-14-24)25(32-21(4)26)20(3)15-29-18-30-16-22-9-7-6-8-10-22/h5-14,20,23,25H,1,15-18H2,2-4H3/t20-,23+,25-/m0/s1
InChIKey DRHUGTCCCJBDKV-ZWSUVBHBSA-N
Molecular Weight 476.584 g/mol
SMILES C(OS(C1=CC=C(C=C1)C)(=O)=O)[C@]([C@@](OC(=O)C)([C@](COCOCC=1C=CC=CC1)(C)[H])[H])(C=C)[H]