18'-hydroxy-χ,χ-caroten-18-oate

Chemical Formula:

C₄₀H₄₅O₃

Molecular Weight:

573.794 Daltons

Monoisotopic Mass:

574.3446953429001 Daltons

SMILES:

CC(=CC=CC=C(C=CC=C(C=CC1(=C(C)C(C)=C(C([O-])=O)C=C1))C)C)C=CC=C(C=CC2(C=CC(CO)=C(C)C(C)=2))C

InChI:

1S/C40H46O3/c1-28(15-11-17-30(3)19-21-36-23-24-38(27-41)33(6)32(36)5)13-9-10-14-29(2)16-12-18-31(4)20-22-37-25-26-39(40(42)43)35(8)34(37)7/h9-26,41H,27H2,1-8H3,(H,42,43)/p-1/b10-9+,15-11+,16-12+,21-19+,22-20+,28-13+,29-14+,30-17+,31-18+

InChIKey:

QELCRTHCYSTRJW-GQHZKSQNSA-M

Synonyms

18'-hydroxy-χ,χ-caroten-18-oic acid

Databases

MetaCyc: CPD-11461

PubChem (CID): 44237297

Seed: cpd22959

MetaNetX: MNXM9722