LX3
(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hept-2-enylidene]cyclohexane-1,3-diol
Find entries where: LX3
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
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Name | (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hept-2-enylidene]cyclohexane-1,3-diol |
Identifiers | (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hept-2-enylidene]cyclohexane-1,3-diol |
Formula | C28 H42 O3 |
Molecular Weight | 426.631 |
Type | NON-POLYMER |
Isomeric SMILES | CCCC/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCCCCC(C)(C)O |
InChI | InChI=1S/C28H42O3/c1-5-6-13-23(15-16-24-19-26(29)20-27(30)21(24)2)25-14-10-12-22(18-25)11-8-7-9-17-28(3,4)31/h10,12,14-16,18,26-27,29-31H,2,5-9,11,13,17,19-20H2,1,3-4H3/b23-15+,24-16-/t26-,27+/m1/s1 |
InChIKey | UWAWDTCFOCGFNY-NTWKYLMFSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 73 |
Chiral Atom Count | 2 |
Bond Count | 74 |
Aromatic Bond Count | 6 |
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL4203464 |
PubChem | 118101159 |
ChEMBL | CHEMBL4203464 |