Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C23H28O6S/c1-3-30-23-19(24)21(26-13-15-7-5-4-6-8-15)20-18(28-23)14-27-22(29-20)16-9-11-17(25-2)12-10-16/h4-12,18-24H,3,13-14H2,1-2H3/t18-,19-,20-,21-,22?,23+/m1/s1
SMILES CCS[C@@H]1O[C@@H]2COC(O[C@H]2[C@@H]([C@H]1O)OCc1ccccc1)c1ccc(cc1)OC
InChI Key NTNBOCGETUUYDM-UWPRFDSFSA-N
Molecular Formula C23H28O6S
Exact Mass 432.530 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NTNBOCGETUUYDM-UWPRFDSFSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/NTNBOCGETUUYDM-UWPRFDSFSA-N/NMR/13C/CDCl3/100
Version
Author Benjamin Goerling
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • (4aR,6S,7R,8R,8aR)-6-ethylsulfanyl-2-(4-methoxyphenyl)-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427481 pubchem
    The data in this table is sourced from UniChem at EBI.