Dataset

5,22-Cholestadien-24beta-methyl-3beta-ol, Ergosta-5,22-dien-3-ol, Ergosta-5,22(E)-dien-3beta-ol, Brassicasterol

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS080201 contains the MS2 mass spectrum of 5,22-Cholestadien-24beta-methyl-3beta-ol, Ergosta-5,22-dien-3-ol, Ergosta-5,22(E)-dien-3beta-ol, Brassicasterol with the InChIkey OILXMJHPFNGGTO-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3
SMILES	CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
InChI Key	OILXMJHPFNGGTO-UHFFFAOYSA-N
Molecular Formula	C28H46O
Exact Mass	398.675 g/mol

Data and Resources

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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-PS080201
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:08:19.460090
MetadataModified	2025-02-09T19:18:07.468071
MetadataPublished	2009-02-09

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
86576	PubChem
HMDB0249368	Human Metabolome Database
PD061145	ProbesDrugs
The data in this table is sourced from UniChem at EBI.