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CHEBI:166687 - 7,8-Didehydroastaxanthin

Default Structure
ChEBI IDCHEBI:166687
ChEBI Name7,8-Didehydroastaxanthin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H50O4
Net Charge0
Average Mass594.836
Monoisotopic Mass594.37091
SMILESCC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1=O
InChIInChI=1S/C40H50O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-21,23,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,27-15+,28-16+,29-19+,30-20+/t35-,36-/m0/s1
InChIKeyBZQRJBLJDFPOBX-AKKQMVQHSA-N
ChEBI Ontology
Outgoing Relation(s)
7,8-Didehydroastaxanthin (CHEBI:166687) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-2,4,4-trimethylcyclohex-2-en-1-one
Manual XrefsDatabases
4947693ChemSpider
LMPR01070051LIPID MAPS
Registry NumbersSources
CAS:19866-02-5ChemIDplus