None
AlkaPlorer ID: AK318658
Synonym: None
IUPAC Name: [(2R,3R,4R,5S,6S,8R,13R,17S)-8-acetyloxy-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-hydroxybenzoate
Structure
SMILES: CCN1C[C@]2(COC)C(O)CC(OC)C34C1C(C(OC)[C@@H]32)[C@@]1(OC(C)=O)C[C@H](OC)[C@@]2(O)C[C@@H]4[C@@H]1[C@H]2OC(=O)C1=CC=C(O)C=C1
InChI: InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)21(38)12-22(42-4)34-20-13-32(40)23(43-5)14-33(46-17(2)36,25(28(34)35)26(44-6)27(31)34)24(20)29(32)45-30(39)18-8-10-19(37)11-9-18/h8-11,20-29,37-38,40H,7,12-16H2,1-6H3/t20-,21?,22?,23+,24-,25?,26?,27-,28?,29-,31+,32+,33-,34?/m1/s1
InChIKey: NVKMBKHFCUAPIJ-XROMYFKOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum geniculatum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 645.7460000000003
TPSA？: 153.45000000000002
MolLogP？: 1.382900000000003
Number of H-Donors: 3
Number of H-Acceptors: 12
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|