3,4',4'-trihydroxyechinenone

Chemical Formula:

C₄₀H₅₄O₄

Molecular Weight:

598.864 Daltons

Monoisotopic Mass:

598.4022102218 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(O)(O)CCC2(C)C)C)

InChI:

1S/C40H54O4/c1-28(17-13-19-30(3)21-23-34-32(5)37(42)36(41)27-39(34,9)10)15-11-12-16-29(2)18-14-20-31(4)22-24-35-33(6)40(43,44)26-25-38(35,7)8/h11-24,36,41,43-44H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+

InChIKey:

PXWOXJLHXFRHEW-ROKXECAJSA-N

Synonyms

3,4',4'-trihydroxy-4-keto-β,β-carotene

Databases

MetaCyc: CPD-20429

PubChem (CID): 131841541