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Cholesteryl oleate

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N102717_2347

Dataset description:

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N102717_2347 contains the MS2 mass spectrum of Cholesteryl oleate with the InChIkey RJECHNNFRHZQKU-RMUVNZEASA-N.

Source: Cholesteryl oleate

Chemical Info

molecular Image

InChI	InChI=1S/C45H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h14-15,26,35-36,38-42H,7-13,16-25,27-34H2,1-6H3/b15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1
SMILES	CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C
InChI Key	RJECHNNFRHZQKU-RMUVNZEASA-N
Molecular Formula	C45H78O2
Exact Mass	650.600 g/mol

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Additional Information

Field	Value
Data last updated	January 11, 2024
Metadata last updated	January 11, 2024
Created	January 11, 2024
Format	HTML
License	Attribution 4.0 International (CC BY 4.0)
Id	08ff5a7b-3b01-4eae-a4d4-f50e7ecc3e86
Package id	msbnk-antwerp_univ-metox_n102717_2347
Resource type	HTML
State	active