1Identification
【Name】
ZEAXANTHIN
【CAS】
【MDL】
MFCD08435940
【English Synonyms】
(1R,1'R)-4,4'-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-TETRAMETHYL-1,3,5,7,9,11,13,15,17-OCTADECANONAEN-1,18-DIYL]BIS(3,5,5-TRIMETHYL-3-CYCLOHEXEN-1-OL)
【Formula】
C40 H56 O2
【MolWeight】
568.88
【Inchi】
InChI=1S/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/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1
【InChIKey】
InChIKey=JKQXZKUSFCKOGQ-QAYBQHTQSA-N
【SMILES】
CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C[C@H](CC2(C)C)O)C)/C)/C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:2
XLogP3:14.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
ZEAXANTHIN.cml