methyl 18-hydroxy-8-methoxy-3,13-diazapentacyclo[11.8.0.0²,¹?.0?,?.0¹?,²?]henicosa-4(9),5,7-triene-19-carboxylate
AlkaPlorer ID: AK135808
Synonym: None
IUPAC Name: methyl (1R,2R,10S,15S,18S,19S,20S)-18-hydroxy-8-methoxy-1,2,3,10,11,12,14,15,16,17,18,19,20,21-tetradecahydroyohimban-19-carboxylate
Structure
SMILES: COC(=O)[C@H]1[C@H]2C[C@@H]3[C@@H]4NC5=CC=CC(OC)=C5[C@@H]4CCN3C[C@H]2CC[C@@H]1O
InChI: InChI=1S/C22H30N2O4/c1-27-18-5-3-4-15-19(18)13-8-9-24-11-12-6-7-17(25)20(22(26)28-2)14(12)10-16(24)21(13)23-15/h3-5,12-14,16-17,20-21,23,25H,6-11H2,1-2H3/t12-,13+,14+,16-,17+,20+,21-/m1/s1
InChIKey: WHOUHQRGRVIKFB-OHLIODBNSA-N
Source
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Properties Information
Molecule Weight: 386.4920000000002
TPSA？: 71.03
MolLogP？: 2.2272000000000003
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 5
Activities Information
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