(1R,5S)-8-[(1R,5S)-3-(3,4-dimethoxybenzoyloxy)-8-azabicyclo[3.2.1]octane-8-carbonyl]-8-azabicyclo[3.2.1]octan-3-yl 3,4-dimethoxybenzoate
AlkaPlorer ID: AK418508
Synonym: None
IUPAC Name: [(1S,5R)-8-[(1R,5S)-3-(3,4-dimethoxybenzoyl)oxy-8-azabicyclo[3.2.1]octane-8-carbonyl]-8-azabicyclo[3.2.1]octan-3-yl] 3,4-dimethoxybenzoate
Structure
SMILES: COC1=CC=C(C(=O)OC2C[C@H]3CC[C@@H](C2)N3C(=O)N2[C@@H]3CC[C@H]2CC(OC(=O)C2=CC=C(OC)C(OC)=C2)C3)C=C1OC
InChI: InChI=1S/C33H40N2O9/c1-39-27-11-5-19(13-29(27)41-3)31(36)43-25-15-21-7-8-22(16-25)34(21)33(38)35-23-9-10-24(35)18-26(17-23)44-32(37)20-6-12-28(40-2)30(14-20)42-4/h5-6,11-14,21-26H,7-10,15-18H2,1-4H3/t21-,22+,23-,24+,25?,26?
InChIKey: JAXWQXGHHUWAKY-ICFBRBJFSA-N
Reference
Tropane alkaloids of two species of plants of theConvolvulus genus
PubChem CID: 15385407
LOTUS: LTS0108022
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Convolvulus subhirsutus | Convolvulus | Convolvulaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 608.6880000000002
TPSA？: 113.07
MolLogP？: 4.845600000000005
Number of H-Donors: 0
Number of H-Acceptors: 9
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|