(3S,3'S)-astaxanthin





Chemical Formula:
C40H52O4
Molecular Weight:
596.848 Daltons
Monoisotopic Mass:
596.3865601576 Daltons
SMILES:
CC(C=CC=C(C=CC1(C(CC(C(C=1C)=O)O)(C)C))C)=CC=CC=C(C)C=CC=C(C)C=CC2(=C(C(C(CC2(C)C)O)=O)C)
InChI:
1S/C40H52O4/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/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-/m0/s1

Synonyms
  • 3,3'-dihydroxy-4,4'-diketo-β,β-carotene
  • 3,3'-dihydroxy-β,β-carotene-4,4'-dione

Databases
MetaCyc:  CPD-7847
RefMet:  Astaxanthin
PubChem (CID):  5281224
ChEBI:  40968
HMDB:  HMDB02204
ChemSpider:  4519704
KEGG:  C08580
Seed:  cpd05487
MetaNetX:  MNXM4475