XANTHOPHYLL
Molecular Formula:
C40H56O2
InChI: InChI=1/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21u,24-22+,29-15+,30-16+,31-19+,32-20+
InChIKey: InChIKey=KBPHJBAIARWVSC-NKMLYFFNBA
SMILES: CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C
Names:
XANTHOPHYLL
.beta.,.epsilon.-Carotene-3,3'-diol, (3R,3'R,6'R)-
4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-2-en-1-ol
Registries:
PubChem CID 5368396
PubChem ID 10370846
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