83Z

(5~{S},6~{E},8~{S},9~{S},12~{R},15~{E})-21-chloranyl-12,20-dimethoxy-6,8,16-trimethyl-5,9-bis(oxidanyl)-2-azabicyclo[16.3.1]docosa-1(21),6,15,18(22),19-pentaene-3,11-dione

Created:2021-11-22
Last modified:  2022-11-16

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Chemical Details

Formal Charge0
Atom Count68
Chiral Atom Count4
Bond Count69
Aromatic Bond Count6
2D diagram of 83Z
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Chemical Component Summary

Name(5~{S},6~{E},8~{S},9~{S},12~{R},15~{E})-21-chloranyl-12,20-dimethoxy-6,8,16-trimethyl-5,9-bis(oxidanyl)-2-azabicyclo[16.3.1]docosa-1(21),6,15,18(22),19-pentaene-3,11-dione
Systematic Name (OpenEye OEToolkits)(5~{S},6~{E},8~{S},9~{S},12~{R},13~{E},15~{E})-21-chloranyl-12,20-dimethoxy-6,8,16-trimethyl-5,9-bis(oxidanyl)-2-azabicyclo[16.3.1]docosa-1(21),6,13,15,18(22),19-hexaene-3,11-dione
FormulaC26 H34 Cl N O6
Molecular Weight492.004
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CO[CH]1C=CC=C(C)Cc2cc(NC(=O)C[CH](O)C(=C[CH](C)[CH](O)CC1=O)C)c(Cl)c(OC)c2
SMILESOpenEye OEToolkits2.0.7CC1C=C(C(CC(=O)Nc2cc(cc(c2Cl)OC)CC(=CC=CC(C(=O)CC1O)OC)C)O)C
Canonical SMILESCACTVS3.385 CO[C@@H]1\C=C\C=C(/C)Cc2cc(NC(=O)C[C@H](O)\C(=C\[C@H](C)[C@@H](O)CC1=O)C)c(Cl)c(OC)c2
Canonical SMILESOpenEye OEToolkits2.0.7 C[C@H]1/C=C(/[C@H](CC(=O)Nc2cc(cc(c2Cl)OC)C/C(=C/C=C/[C@H](C(=O)C[C@@H]1O)OC)/C)O)\C
InChIInChI1.03 InChI=1S/C26H34ClNO6/c1-15-7-6-8-23(33-4)22(31)13-20(29)16(2)10-17(3)21(30)14-25(32)28-19-11-18(9-15)12-24(34-5)26(19)27/h6-8,10-12,16,20-21,23,29-30H,9,13-14H2,1-5H3,(H,28,32)/b8-6?,15-7+,17-10+/t16-,20-,21-,23+/m0/s1
InChIKeyInChI1.03 FDXIJEQRVYBNHT-SCFILQMVSA-N

Related Resource References

Resource NameReference
PubChem 56928168