1109-11-1
ETHYL BETA-APO-8'-CAROTENOATE (TRANS)
NameETHYL BETA-APO-8'-CAROTENOATE (TRANS)
1Identification
【Name】
ETHYL BETA-APO-8'-CAROTENOATE (TRANS)
【CAS】
【MDL】
MFCD00042627
【English Synonyms】
ETHYL(2E,4E,6E,8E,10E,12E,14E,16E)-2,6,11,15-TETRAMETHYL-17-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-2,4,6,8,10,12,14,16-HEPTADECAOCTAENOATE
【Formula】
C32 H44 O2
【MolWeight】
460.698
【Inchi】
InChI=1S/C32H44O2/c1-9-34-31(33)29(6)20-13-19-26(3)16-11-10-15-25(2)17-12-18-27(4)22-23-30-28(5)21-14-24-32(30,7)8/h10-13,15-20,22-23H,9,14,21,24H2,1-8H3/b11-10+,17-12+,19-13+,23-22+,25-15+,26-16+,27-18+,29-20+
【InChIKey】
InChIKey=GIRXTOSJOKKBHO-BQTUIHPCSA-N
【SMILES】
CCOC(=O)/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C)/C)/C
【MOL File】
ETHYL BETA-APO-8'-CA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:12.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL BETA-APO-8'-CAROTENOATE (TRANS).cml