semi-beta-carotenone
A carotenone compound arising from oxidative cleavage of the 5',6'-double bond.
Exact Synonyms
(8E,10E,12E,14E,16E,18E,20E,22E,24E)-6,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohex-1-en-1-yl)pentacosa-8,10,12,14,16,18,20,22,24-nonaene-2,7-dione
class Information
charge
0
formula
C40H56O2
has_dbxref
- HMDB:HMDB0039017
- PMID:10917914
- PMID:15940869
- PMID:16399003
- Reaxys:3185633
has_obo_namespace
chebi_ontology
inchi
InChI=1S/C40H56O2/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38(42)40(9,10)30-16-24-36(6)41/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+
inchikey
PDBIWYOLPQXSTF-JLTXGRSLSA-N
in_subset
mass
568.87140
monoisotopicmass
568.42803
smiles
CC(=O)CCCC(C)(C)C(=O)\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C