U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C32H54O2
Molecular Weight 470.77
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHOLESTERYL VALERATE

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)CCCC)[C@H](C)CCCC(C)C

InChI

InChIKey=RWTQCZGAMKTBRV-PTHRTHQKSA-N
InChI=1S/C32H54O2/c1-7-8-12-30(33)34-25-17-19-31(5)24(21-25)13-14-26-28-16-15-27(23(4)11-9-10-22(2)3)32(28,6)20-18-29(26)31/h13,22-23,25-29H,7-12,14-21H2,1-6H3/t23-,25+,26+,27-,28+,29+,31+,32-/m1/s1

HIDE SMILES / InChI

Molecular Formula C32H54O2
Molecular Weight 470.77
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:44:41 GMT 2023
Edited
by admin
on Sat Dec 16 15:44:41 GMT 2023
Record UNII
WJ4NKG39ZH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHOLESTERYL VALERATE
Common Name English
CHOLESTERYL PENTANOATE
Common Name English
CHOLEST-5-EN-3-OL (3.BETA.)-, 3-PENTANOATE
Systematic Name English
Code System Code Type Description
CAS
7726-03-6
Created by admin on Sat Dec 16 15:44:41 GMT 2023 , Edited by admin on Sat Dec 16 15:44:41 GMT 2023
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FDA UNII
WJ4NKG39ZH
Created by admin on Sat Dec 16 15:44:41 GMT 2023 , Edited by admin on Sat Dec 16 15:44:41 GMT 2023
PRIMARY
PUBCHEM
111329
Created by admin on Sat Dec 16 15:44:41 GMT 2023 , Edited by admin on Sat Dec 16 15:44:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID90998503
Created by admin on Sat Dec 16 15:44:41 GMT 2023 , Edited by admin on Sat Dec 16 15:44:41 GMT 2023
PRIMARY