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CHEBI:34633 - cholesta-5,7-dien-3β-ol benzoate

ChEBI IDCHEBI:34633
ChEBI Namecholesta-5,7-dien-3β-ol benzoate
Stars
ASCII Namecholesta-5,7-dien-3beta-ol benzoate
Last Modified21 June 2006
DownloadsMolfile
FormulaC34H48O2
Net Charge0
Average Mass488.756
Monoisotopic Mass488.36543
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])C2=CC=C2C[C@@H](OC(=O)c3ccccc3)CC[C@@]21C
InChIInChI=1S/C34H48O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-15,23-24,27,29-31H,9-11,16-22H2,1-5H3/t24-,27+,29-,30+,31+,33+,34-/m1/s1
InChIKeyIHOQNBAZWVTKFK-BVBBTSNESA-N
ChEBI Ontology
Outgoing Relation(s)
cholesta-5,7-dien-3β-ol benzoate (CHEBI:34633) has functional parent cholesta-5,7-dien-3β-ol (CHEBI:17759)
cholesta-5,7-dien-3β-ol benzoate (CHEBI:34633) is a benzoate ester (CHEBI:36054)
IUPAC Name 
cholesta-5,7-dien-3β-yl benzoate
Synonyms  Source
Cholesta-5,7-dien-3beta-ol benzoateKEGG COMPOUND
7-Dehydrocholesterol benzoateKEGG COMPOUND
7-dehydrocholesteryl benzoateChemIDplus
3β-benzoyloxycholesta-5,7-dieneChemIDplus
Δ5,7-cholesteryl benzoateChemIDplus
Manual XrefsDatabases
C14673KEGG COMPOUND
Registry NumbersSources
Beilstein:3227137Beilstein
CAS:1182-06-5KEGG COMPOUND
CAS:1182-06-5ChemIDplus