(1S,2R,3R,4R,5R,6S,7S,8R,9R,10R,13R,14R,16S,17S,18R)-14-(acetyloxy)-11-ethyl-5,7,8-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate
AlkaPlorer ID: AK075783
Synonym: None
IUPAC Name: [(1S,2R,3R,4R,5R,6S,7S,8R,9R,10R,13R,14R,16S,17S,18R)-14-acetyloxy-11-ethyl-5,7,8-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
Structure
SMILES: CCN1C[C@@]2(COC)[C@H]3[C@@H](OC)[C@H]4[C@@H]1[C@]3([C@@H](OC)C[C@H]2OC(C)=O)[C@@H]1C[C@@]2(O)[C@H](OC(=O)C3=CC=CC=C3)[C@@H]1[C@]4(O)[C@@H](O)[C@@H]2OC
InChI: InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(45-17(2)36)13-21(42-4)33-19-14-32(39)28(46-30(38)18-11-9-8-10-12-18)22(19)34(40,27(37)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37,39-40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,31+,32-,33+,34-/m1/s1
InChIKey: FIAJCJWCEPHUJF-NPVHKAFCSA-N
Reference
Studies on the Alkaloids from Aconitum Polyschistum Hand-Mazz. Part II.
PubChem CID: 162929035
LOTUS: LTS0139970
SuperNatural Ⅲ: SN0086283-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum polyschistum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 645.7460000000004
TPSA？: 153.45000000000002
MolLogP？: 0.6481000000000042
Number of H-Donors: 3
Number of H-Acceptors: 12
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|