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(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol


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Chemical Component Summary

Name(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol
Identifiers(1~{S},3~{a}~{R},6~{a}~{R})-5-hexyl-4-phenyl-3~{a}-(1-phenylethenyl)-2,3,6,6~{a}-tetrahydro-1~{H}-pentalen-1-ol
FormulaC28 H34 O
Molecular Weight386.569
TypeNON-POLYMER
Isomeric SMILESCCCCCCC1=C([C@@]2(CC[C@@H]([C@@H]2C1)O)C(=C)c3ccccc3)c4ccccc4
InChIInChI=1S/C28H34O/c1-3-4-5-8-17-24-20-25-26(29)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,29H,2-5,8,17-20H2,1H3/t25-,26-,28-/m0/s1
InChIKeyZFXMYHPLTQTTFW-NSVAZKTRSA-N

Chemical Details

Formal Charge0
Atom Count63
Chiral Atom Count3
Bond Count66
Aromatic Bond Count12

Related Resource References

Resource NameReference
Pharos CHEMBL1765960
PubChem 52937449
ChEMBL CHEMBL1765960