2-hydroxycanthaxanthin
Chemical Formula:
C40H52O3
Molecular Weight:
580.849 Daltons
Monoisotopic Mass:
580.3916455355001 Daltons
SMILES:
CC(=CC=CC=C(C=CC=C(C=CC1(C(C(O)CC(C=1C)=O)(C)C))C)C)C=CC=C(C)C=CC2(=C(C(CCC2(C)C)=O)C)
InChI:
1S/C40H52O3/c1-28(17-13-19-30(3)21-23-34-32(5)36(41)25-26-39(34,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-35-33(6)37(42)27-38(43)40(35,9)10/h11-24,38,43H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t38-/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-17660
PubChem (CID):
91819803
KNApSAcK:
C00023051
MetaNetX:
MNXM147728