Akuammidine
AlkaPlorer ID: AK031515
Synonym: 'Rhazin', '', '19(Z)-Akuammidine', 'Polyneuridine', 'Akuammidine', 'Normacusine A', '(-)-Polyneuridine'
IUPAC Name: methyl (1S,12S,13S,14S,15E)-15-ethylidene-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate
Structure
SMILES: C/C=C1/CN2[C@H]3CC4=C(NC5=CC=CC=C45)[C@@H]2C[C@@H]1[C@]3(CO)C(=O)OC
InChI: InChI=1S/C21H24N2O3/c1-3-12-10-23-17-9-15(12)21(11-24,20(25)26-2)18(23)8-14-13-6-4-5-7-16(13)22-19(14)17/h3-7,15,17-18,22,24H,8-11H2,1-2H3/b12-3-/t15-,17-,18-,21-/m0/s1
InChIKey: RCEFXZXHYFOPIE-GJZACXSBSA-N
Reference
Indole Alkaloids of <i>Haplophyton crooksii</i>
PubChem CID: 15558574
LOTUS: LTS0261905
NPASS: NPC217463
Source
Properties Information
Molecule Weight: 352.43400000000014
TPSA？: 65.56
MolLogP？: 2.5672000000000006
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 6