Ambiguine G nitrile

AlkaPlorer ID: AK196043

Synonym: ''

IUPAC Name: (12R,13R,15R)-13-chloro-12-ethenyl-8,8,9,12,19,19-hexamethyl-6-azapentacyclo[13.3.1.05,18.07,17.011,16]nonadeca-1(18),2,4,7(17),9,11(16)-hexaene

Structure

SMILES: C=C[C@]1(C)C2=C3C4=C(NC5=CC=CC(=C45)C(C)(C)[C@H]3C[C@H]1Cl)C(C)(C)C(C)=C2

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InChI: InChI=1S/C26H30ClN/c1-8-26(7)17-12-14(2)24(3,4)23-22-20(17)16(13-19(26)27)25(5,6)15-10-9-11-18(28-23)21(15)22/h8-12,16,19,28H,1,13H2,2-7H3/t16-,19+,26+/m0/s1

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InChIKey: WAHCZMDVXMNQTN-KGVVXCLESA-N

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Source

Properties Information

Molecule Weight: 391.98600000000016

TPSA: 15.79

MolLogP: 7.269800000000005

Number of H-Donors: 1

Number of H-Acceptors: 0

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information