aspidospermine
AlkaPlorer ID: AK005353
Synonym: 'Aspidospermine', '(-)-Aspidospermine', '1-Acetyl-17-methoxyaspidospermidine', '(+)-Aspidospermine'
IUPAC Name: 1-[(1R,9R,12S,19S)-12-ethyl-6-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-8-yl]ethanone
Structure
SMILES: CC[C@]12CCCN3CC[C@]4(C5=CC=CC(OC)=C5N(C(C)=O)[C@@H]4CC1)[C@@H]32
InChI: InChI=1S/C22H30N2O2/c1-4-21-10-6-13-23-14-12-22(20(21)23)16-7-5-8-17(26-3)19(16)24(15(2)25)18(22)9-11-21/h5,7-8,18,20H,4,6,9-14H2,1-3H3/t18-,20+,21+,22-/m1/s1
InChIKey: ARQOGCYMPUOVHK-RYFAJOAYSA-N
Source
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Properties Information
Molecule Weight: 354.49400000000014
TPSA？: 32.78
MolLogP？: 3.7264000000000026
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 5
Activities Information
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