CHEBI:78662 - 2,3-epoxysqualene

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ChEBI Name 2,3-epoxysqualene
ChEBI ID CHEBI:78662
Definition A squalene triterpenoid obtained by formal epoxidation across the 2,3 C=C bond of squalene.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H50O
Net Charge 0
Average Mass 426.71740
Monoisotopic Mass 426.38617
InChI InChI=1S/C30H50O/c1-24(2)14-11-17-27(5)20-12-18-25(3)15-9-10-16-26(4)19-13-21-28(6)22-23-29-30(7,8)31-29/h14-16,20-21,29H,9-13,17-19,22-23H2,1-8H3/b25-15+,26-16+,27-20+,28-21+
InChIKey QYIMSPSDBYKPPY-BANQPHDMSA-N
SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC1OC1(C)C
ChEBI Ontology
Outgoing 2,3-epoxysqualene (CHEBI:78662) has parent hydride squalene (CHEBI:15440)
2,3-epoxysqualene (CHEBI:78662) is a epoxide (CHEBI:32955)
2,3-epoxysqualene (CHEBI:78662) is a squalene triterpenoid (CHEBI:26747)
Incoming (S)-2,3-epoxysqualene (CHEBI:15441) is a 2,3-epoxysqualene (CHEBI:78662)
IUPAC Name
2,2-dimethyl-3-[(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-yl]oxirane
Synonyms Sources
2,3-Edsq ChemIDplus
2,3-Epoxy-2,3-dihydrosqualene ChemIDplus
2,3-Oxidosqualene ChemIDplus
Squalene-2,3-epoxide ChemIDplus
Squalene-2,3-oxide ChemIDplus
Registry Numbers Types Sources
1627703 Reaxys Registry Number Reaxys
7200-26-2 CAS Registry Number ChemIDplus
Last Modified
02 June 2014