Cholesteryl palmitate

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Systematic / IUPAC Name: [(3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hexadecanoate

ID: Reference13997

Other Names: AA-3940

Formula: C43H76O2

Class: Steroids/Vitamins/Hormones Endogenous Metabolites Personal Care Products/Cosmetics

Spectral Data

Cholesteryl palmitate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 445
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 7/21/2026 8:41:50 AM
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Identificators

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
InChI Key BBJQPKLGPMQWBU-JADYGXMDSA-N
Canonical SMILES CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1
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Other Names AA-3940

In Other Databases

LipidsMAPs LMST01020005
HMDb HMDB0000885; HMDB0000885
ChEBI CHEBI:3663
PubChem 246520
ChemSpider 215725
KEGG C11251