Dataset

Deparal, Devaron, 7-Dehydrocholesterol activated, oleovitamin D3, (3beta,5Z,7E)-9,10-Secocholesta-5,7,10(19)-trien-3-ol, Calciol, Arachitol, Colecalciferol, Activated 7-dehydrocholesterol, CC, Cholecalciferol, FeraCol, Vitamin D3, Videkhol

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS125502 contains the MS2 mass spectrum of Deparal, Devaron, 7-Dehydrocholesterol activated, oleovitamin D3, (3beta,5Z,7E)-9,10-Secocholesta-5,7,10(19)-trien-3-ol, Calciol, Arachitol, Colecalciferol, Activated 7-dehydrocholesterol, CC, Cholecalciferol, FeraCol, Vitamin D3, Videkhol with the InChIkey QYSXJUFSXHHAJI-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3
SMILES	CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
InChI Key	QYSXJUFSXHHAJI-UHFFFAOYSA-N
Molecular Formula	C27H44O
Exact Mass	384.648 g/mol

Data and Resources

Deparal, Devaron, 7-Dehydrocholesterol...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-PS125502
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:24:14.020046
MetadataModified	2025-02-09T19:05:48.351307
MetadataPublished	2009-02-09

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
3965-99-9	ACToR
2735	PubChem
PD065379	ProbesDrugs
SCHEMBL23878716	SureChEMBL
HMDB0242506	Human Metabolome Database
MCULE-2976841469	Mcule
The data in this table is sourced from UniChem at EBI.