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

*Links on SpectraBase are not permalinks.

Methyl (1,2:3,4:9,10-tri-o-isopropylidene-6-o-(S-methyldithiocarbonate)-7-deoxy-L-glycero-L-allo-.alpha.,D-galacto-undecodialdo-1,5-pyranoside)-11,8-.beta.-furanoside

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

Methyl (1,2:3,4:9,10-tri-o-isopropylidene-6-o-(S-methyldithiocarbonate)-7-deoxy-L-glycero-L-allo-.alpha.,D-galacto-undecodialdo-1,5-pyranoside)-11,8-.beta.-furanoside
SpectraBase Compound ID 3vVJTwCt8Pg
InChI InChI=1S/C23H36O10S2/c1-21(2)28-13-11(25-18(24-7)16(13)31-21)9-10(26-20(34)35-8)12-14-15(30-22(3,4)29-14)17-19(27-12)33-23(5,6)32-17/h10-19H,9H2,1-8H3/t10-,11+,12+,13+,14-,15-,16+,17+,18+,19+/m0/s1
InChIKey HJNFFIDVKWHKSO-ARHWDTEGSA-N
Mol Weight 536.7 g/mol
Molecular Formula C23H36O10S2
Exact Mass 536.17499 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 B9jd4DVxpRn
Name Methyl (1,2:3,4:9,10-tri-o-isopropylidene-6-o-(S-methyldithiocarbonate)-7-deoxy-L-glycero-L-allo-.alpha.,D-galacto-undecodialdo-1,5-pyranoside)-11,8-.beta.-furanoside
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 536.174989697 u
Formula C23H36O10S2
InChI InChI=1S/C23H36O10S2/c1-21(2)28-13-11(25-18(24-7)16(13)31-21)9-10(26-20(34)35-8)12-14-15(30-22(3,4)29-14)17-19(27-12)33-23(5,6)32-17/h10-19H,9H2,1-8H3/t10-,11+,12+,13+,14-,15-,16+,17+,18+,19+/m0/s1
InChIKey HJNFFIDVKWHKSO-ARHWDTEGSA-N
Molecular Weight 536.651 g/mol
SMILES [C@]12([C@@]3([C@@](OC(O3)(C)C)(O[C@@]([C@@]1(OC(O2)(C)C)[H])([C@](C[C@@]1([C@@]2([C@@](OC(O2)(C)C)([C@@](O1)(OC)[H])[H])[H])[H])(OC(=S)SC)[H])[H])[H])[H])[H]