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

*Links on SpectraBase are not permalinks.

(2R,3R,4S,5S,6R)-2-[3-(2-Hydroxyethyl)-4-(hydroxymethyl)hex-5-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol, hexamethyl ether

View entire compound with spectra: 1 NMR, and 1 FTIR

(2R,3R,4S,5S,6R)-2-[3-(2-Hydroxyethyl)-4-(hydroxymethyl)hex-5-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol, hexamethyl ether
SpectraBase Compound ID ebm7j2sAjR
InChI InChI=1S/C21H40O8/c1-8-15(13-23-3)16(9-11-22-2)10-12-28-21-20(27-7)19(26-6)18(25-5)17(29-21)14-24-4/h8,15-21H,1,9-14H2,2-7H3/t15?,16?,17-,18-,19+,20-,21-/m1/s1
InChIKey DYAAWRHWZJBEGO-BNVJOHFHSA-N
Mol Weight 420.5 g/mol
Molecular Formula C21H40O8
Exact Mass 420.272318 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID AUcVlPmetrO
Name (2R,3R,4S,5S,6R)-2-[3-(2-Hydroxyethyl)-4-(hydroxymethyl)hex-5-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol, hexamethyl ether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.272318240 u
Formula C21H40O8
InChI InChI=1S/C21H40O8/c1-8-15(13-23-3)16(9-11-22-2)10-12-28-21-20(27-7)19(26-6)18(25-5)17(29-21)14-24-4/h8,15-21H,1,9-14H2,2-7H3/t15?,16?,17-,18-,19+,20-,21-/m1/s1
InChIKey DYAAWRHWZJBEGO-BNVJOHFHSA-N
Molecular Weight 420.543 g/mol
SMILES C(C(C(C=C)COC)CCO[C@]1([C@@]([C@]([C@@]([C@](O1)(COC)[H])(OC)[H])(OC)[H])(OC)[H])[H])COC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.916742