fucoxanthinol

Chemical Formula:

C₄₀H₅₆O₅

Molecular Weight:

616.879 Daltons

Monoisotopic Mass:

616.4127749081 Daltons

SMILES:

CC(C=CC=C(C)[CH]=C=C1(C(O)(C)CC(O)CC(C)(C)1))=CC=CC=C(C)C=CC=C(C)C(=O)CC23(C(C)(C)CC(O)CC(C)(O2)3)

InChI:

1S/C40H56O5/c1-28(17-13-18-30(3)21-22-35-36(5,6)23-32(41)25-38(35,9)44)15-11-12-16-29(2)19-14-20-31(4)34(43)27-40-37(7,8)24-33(42)26-39(40,10)45-40/h11-21,32-33,41-42,44H,23-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+/t22?,32-,33-,38+,39+,40-/m0/s1

InChIKey:

NZEPSBGUXWWWSI-FWFPOGQTSA-N

Synonyms

8-oxo-trans-neoxanthin

Databases

MetaCyc: CPD-20690

PubChem (CID): 11273547