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Cholesteryl palmitate

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N102818_9EE2

Dataset description:

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N102818_9EE2 contains the MS2 mass spectrum of Cholesteryl palmitate with the InChIkey BBJQPKLGPMQWBU-JADYGXMDSA-N.

Source: Cholesteryl palmitate

Chemical Info

molecular Image

InChI	InChI=1S/C43H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h24,33-34,36-40H,7-23,25-32H2,1-6H3/t34-,36+,37+,38-,39+,40+,42+,43-/m1/s1
SMILES	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCCCCCCCCCC)[C@H](C)CCCC(C)C
InChI Key	BBJQPKLGPMQWBU-JADYGXMDSA-N
Molecular Formula	C43H76O2
Exact Mass	624.585 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	233c8bdb-32ae-46b8-af9c-62746ae4ea10
Package id	msbnk-antwerp_univ-metox_n102818_9ee2
Resource type	HTML
State	active