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CHEBI:78662 - 2,3-epoxysqualene

ChEBI IDCHEBI:78662
ChEBI Name2,3-epoxysqualene
Stars
DefinitionA squalene triterpenoid obtained by formal epoxidation across the 2,3 C=C bond of squalene.
Last Modified2 June 2014
SubmitterSteve
DownloadsMolfile
FormulaC30H50O
Net Charge0
Average Mass426.729
Monoisotopic Mass426.38617
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC1OC1(C)C
InChIInChI=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+
InChIKeyQYIMSPSDBYKPPY-BANQPHDMSA-N
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
(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  Source
Squalene-2,3-epoxideChemIDplus
2,3-Epoxy-2,3-dihydrosqualeneChemIDplus
2,3-EdsqChemIDplus
Squalene-2,3-oxideChemIDplus
2,3-OxidosqualeneChemIDplus
Registry NumbersSources
Reaxys:1627703Reaxys
CAS:7200-26-2ChemIDplus