MB5

(5aS,12aS,13aS)-9-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one



Chemical Component Summary

Name(5aS,12aS,13aS)-9-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one
Synonymsmalbrancheamide B
Identifiersn/a
FormulaC21 H24 Cl N3 O
Molecular Weight369.888
TypeNON-POLYMER
Isomeric SMILESCC1(c2c(c3ccc(cc3[nH]2)Cl)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C
InChIInChI=1S/C21H24ClN3O/c1-19(2)16-10-21-6-3-7-25(21)11-20(16,24-18(21)26)9-14-13-5-4-12(22)8-15(13)23-17(14)19/h4-5,8,16,23H,3,6-7,9-11H2,1-2H3,(H,24,26)/t16-,20+,21-/m0/s1
InChIKeyDXPVAKSJZFQGSS-DQLDELGASA-N

Chemical Details

Formal Charge0
Atom Count50
Chiral Atom Count3
Bond Count55
Aromatic Bond Count10

Related Resource References

Resource NameReference
PubChem 24858870
ChEMBL CHEMBL461147