Dataset

Capsanthin[6]

This dataset contains NMR spectra obtained for the sample containing Capsanthin

Chemical Information

molecular Image

InChI	InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,35+,40+/m1/s1
SMILES	CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1
InChI Key	VYIRVAXUEZSDNC-RDJLEWNRSA-N
Molecular Formula	C40H56O3
Exact Mass	584.900 g/mol

Data and Resources

Capsanthin[6]HTML

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p42.s1306.d5728
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D5728
Version
Author	Peter Spiteller
Maintainer
Language	english
MetadataPublished	2025-08-31T17:42:30.000000Z
Related Molecule

Field	Value
Measurement Technique
Measurement Variables	NMR solvent : acquisition nucleus : NMR spectrum by dimensionality : NMR probe : Temperature : K magnetic field strength : Tesla number of scans : scans nuclear magnetic resonance pulse sequence : Spectral Width : number of data points : points relaxation time measurement : seconds

Data-Source Molecule ID	Data-Source
CHEBI:3375	chebi
LMPR01070265	lipidmaps
CHEMBL1519371	chembl
117691	surechembl
5281228	pubchem
420NY1J57N	fdasrs
PD000527	probes_and_drugs
35031	brenda
Molport-003-665-925	molport
The data in this table is sourced from UniChem at EBI.