3'-hydroxyechinenone

Chemical Formula:

C₄₀H₅₄O₂

Molecular Weight:

566.865 Daltons

Monoisotopic Mass:

566.4123809776 Daltons

SMILES:

CC(=CC=CC=C(C=CC=C(C=CC1(C(CCC(C=1C)=O)(C)C))C)C)C=CC=C(C)C=CC2(=C(CC(CC2(C)C)O)C)

InChI:

1S/C40H54O2/c1-29(17-13-19-31(3)21-23-36-33(5)27-35(41)28-40(36,9)10)15-11-12-16-30(2)18-14-20-32(4)22-24-37-34(6)38(42)25-26-39(37,7)8/h11-24,35,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+

InChIKey:

ZRCXVNZZDQGBQT-DKLMTRRASA-N

Synonyms

4-keto-3'-hydroxy-β,β-carotene

Databases

MetaCyc: CPD-7861

ChemSpider: 4905357

PubChem (CID): 6386523