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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cholesta-5,7-dien-3β-ol benzoate
ChEBI ID CHEBI:34633
ChEBI ASCII Name cholesta-5,7-dien-3beta-ol benzoate
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C34H48O2
Net Charge 0
Average Mass 488.74372
Monoisotopic Mass 488.36543
InChI InChI=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
InChIKey IHOQNBAZWVTKFK-BVBBTSNESA-N
SMILES [H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)c1ccccc1)[C@H](C)CCCC(C)C
ChEBI Ontology
Outgoing 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 Sources
3β-benzoyloxycholesta-5,7-diene ChemIDplus
7-Dehydrocholesterol benzoate KEGG COMPOUND
7-dehydrocholesteryl benzoate ChemIDplus
Cholesta-5,7-dien-3beta-ol benzoate KEGG COMPOUND
Δ5,7-cholesteryl benzoate ChemIDplus
Manual Xref Database
C14673 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1182-06-5 CAS Registry Number ChemIDplus
3227137 Beilstein Registry Number Beilstein
Last Modified
22 June 2006