Dataset

(2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]chroman-6-ol, 8-Methyltocotrienol, (R)-delta-Tocotrienol, delta-Tocotrienol

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PT112580 contains the MS2 mass spectrum of (2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]chroman-6-ol, 8-Methyltocotrienol, (R)-delta-Tocotrienol, delta-Tocotrienol with the InChIkey ODADKLYLWWCHNB-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C27H40O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h10,12,14,18-19,28H,7-9,11,13,15-17H2,1-6H3
SMILES	CC1=C2C(=CC(=C1)O)CCC(O2)(C)CCC=C(C)CCC=C(C)CCC=C(C)C
InChI Key	ODADKLYLWWCHNB-UHFFFAOYSA-N
Molecular Formula	C27H40O2
Exact Mass	396.615 g/mol

Data and Resources

(2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltr...HTML
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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PT112580
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:09:21.277490
MetadataModified	2025-02-09T19:06:26.626852
MetadataPublished	2008-07-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
PD049844	ProbesDrugs
SCHEMBL4648790	SureChEMBL
HMDB0242544	Human Metabolome Database
53394607	PubChem
The data in this table is sourced from UniChem at EBI.