Dataset

Capsanthin[5]

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[5]HTML

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p42.s1306.d5727
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D5727
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
5281228	PubChem
SCHEMBL117691	SureChEMBL
3375	Rhea
MTBLC3375	Metabolights
35031	Brenda
ZINC000008221201	ZINC
15217654	PubChem: Thomson Pharma
465-42-9	ACToR
420NY1J57N	FDA SRS
PD000527	ProbesDrugs
28205849	eMolecules
C08584	KEGG Ligand
3375	ChEBI
CHEMBL1519371	ChEMBL
LMPR01070265	LipidMaps
J5.891B	Nikkaji
40266034	NMRShiftDB
The data in this table is sourced from UniChem at EBI.