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Ergost-5-en-3-ol                    @
SpectraBase Compound ID 6bXDV3YCADt
InChI InChI=1S/C28H48O/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/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3
InChIKey SGNBVLSWZMBQTH-UHFFFAOYSA-N
Mol Weight 400.7 g/mol
Molecular Formula C28H48O
Exact Mass 400.370516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Zz6ePJWU72
Name Ergost-5-en-3-ol @
CAS Registry Number 4651-51-8
Classification Plant sterol
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 400.370516165 u
Formula C28H48O
InChI InChI=1S/C28H48O/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/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3
InChIKey SGNBVLSWZMBQTH-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 400.691 g/mol
SMILES C12(C(C3CC=C4C(C3CC2)(CCC(O)C4)C)CCC1C(CCC(C(C)C)C)C)C
SPLASH splash10-0a4i-5921000000-471117f095e37a2d1fad
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Dihydrobrassicasterol
Technique GC/MS
Wiley ID MMPW6e_5620