Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR) ((1'S,2S,3'R,5'S,7'R,10'R,12'R,14'R,15'S,18'R,19'R,22'S,23'R)-10',22'-dihydroxy-7',18'-dimethyl-19'-(5-oxo-2H-furan-3-yl)spiro[1,3-thiazolidine-2,9'-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane]-14'-carbaldehyde)

Chemical Info

InChI	InChI=1S/C31H43NO8S/c1-17-13-30(32-9-10-41-30)31(36)26(38-17)39-23-12-19-3-4-22-21(28(19,16-33)14-24(23)40-31)5-7-27(2)20(6-8-29(22,27)35)18-11-25(34)37-15-18/h11,16-17,19-24,26,32,35-36H,3-10,12-15H2,1-2H3/t17-,19+,20-,21+,22-,23-,24-,26+,27-,28-,29+,30+,31-/m1/s1
SMILES	C[C@@H]1C[C@@]2(NCCS2)[C@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H](C6=CC(=O)OC6)CC[C@]54O)C[C@H]3O[C@@H]2O1
InChI Key	YLDBWOUPHZGCJG-IGACXKNBSA-N
Molecular Formula	C31H43NO8S
Exact Mass	589.751 g/mol

Data and Resources

• 1H nuclear magnetic resonance spectroscopy...HTML
  Explore

  • More information
  • Go to resource

• 1h-nmr
• chemistry

Related Resources

• This dataset related as IsPartOf to https://dx.doi.org/10.14272/YLDBWOUPHZGCJG-IGACXKNBSA-N.1

Metadata Information

• Additional
• Measurement

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by/4.0
Source
Version
Author	Gräßle, Simone
Maintainer	chemotion.net
Language	en
MetadataCreated	2022-10-06T17:33:39.220844
MetadataModified	2022-10-06T17:33:39.220849
MetadataPublished

Field	Value
Measurement Technique
Measurement Variables