E05

(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]pent-2-enylidene]cyclohexane-1,3-diol


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Chemical Component Summary

Name(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]pent-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]pent-2-enylidene]cyclohexane-1,3-diol
FormulaC26 H38 O3
Molecular Weight398.578
TypeNON-POLYMER
Isomeric SMILESCC/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCCCCC(C)(C)O
InChIInChI=1S/C26H38O3/c1-5-21(13-14-22-17-24(27)18-25(28)19(22)2)23-12-9-11-20(16-23)10-7-6-8-15-26(3,4)29/h9,11-14,16,24-25,27-29H,2,5-8,10,15,17-18H2,1,3-4H3/b21-13+,22-14-/t24-,25+/m1/s1
InChIKeyBQVXPWDQMUNMLU-FIKMVKLPSA-N

Chemical Details

Formal Charge0
Atom Count67
Chiral Atom Count2
Bond Count68
Aromatic Bond Count6

Related Resource References

Resource NameReference
Pharos CHEMBL4202828
PubChem 91799374
ChEMBL CHEMBL4202828