methyl (1R,9S,10S,12S,13Z,16S,17R,18S)-18-(acetyloxy)-13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2(7),3,5-triene-17-carboxylate
AlkaPlorer ID: AK533354
Synonym: None
IUPAC Name: methyl (1R,9S,10S,12R,13E)-18-acetyloxy-13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate
Structure
SMILES: C/C=C1/CN2C3C[C@@]45C6=CC=CC=C6N(C)[C@@H]4[C@@H]2C[C@H]1C3(C(=O)OC)C5OC(C)=O
InChI: InChI=1S/C24H28N2O4/c1-5-14-12-26-18-10-16(14)24(22(28)29-4)19(26)11-23(21(24)30-13(2)27)15-8-6-7-9-17(15)25(3)20(18)23/h5-9,16,18-21H,10-12H2,1-4H3/b14-5-/t16-,18+,19?,20-,21?,23-,24?/m1/s1
InChIKey: UBTOXVLVFCOIGT-GKXYIZBMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia constricta | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 408.4980000000002
TPSA？: 59.080000000000005
MolLogP？: 2.2702
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|