BM4

3-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-3-yl]phenol


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Chemical Component Summary

Name3-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-3-yl]phenol
Identifiers3-[(1R,3S)-3-ethyl-1-[9-[(1S,3R)-3-ethyl-3-(3-hydroxyphenyl)azepan-1-yl]nonyl]azepan-3-yl]phenol
FormulaC37 H58 N2 O2
Molecular Weight562.869
TypeNON-POLYMER
Isomeric SMILESCC[C@]1(CCCC[N@](C1)CCCCCCCCC[N@]2CCCC[C@](C2)(CC)c3cccc(c3)O)c4cccc(c4)O
InChIInChI=1S/C37H58N2O2/c1-3-36(32-18-16-20-34(40)28-32)22-10-14-26-38(30-36)24-12-8-6-5-7-9-13-25-39-27-15-11-23-37(4-2,31-39)33-19-17-21-35(41)29-33/h16-21,28-29,40-41H,3-15,22-27,30-31H2,1-2H3/t36-,37+
InChIKeyZZKZUUMHRSWLQQ-JXLNJXQWSA-N

Chemical Details

Formal Charge0
Atom Count99
Chiral Atom Count2
Bond Count102
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 49866713