Ouvrardiandine A; 15-O-Deacyl, 15-benzoyl
AlkaPlorer ID: AK308804
Synonym: Ouvrardiandine B
IUPAC Name: (4-acetyloxy-5,7-dimethyl-13-methylidene-3,19-dioxo-9-oxa-7-azahexacyclo[8.6.2.211,14.01,8.05,17.011,16]icosan-12-yl) benzoate
Structure
SMILES: C=C1C2CC3C(CC2=O)(C2CC4C5(C)CN(C)C(O2)C43CC(=O)C5OC(C)=O)C1OC(=O)C1=CC=CC=C1
InChI: InChI=1S/C30H33NO7/c1-15-18-10-22-29-13-20(34)25(36-16(2)32)28(3)14-31(4)27(29)37-23(11-21(28)29)30(22,12-19(18)33)24(15)38-26(35)17-8-6-5-7-9-17/h5-9,18,21-25,27H,1,10-14H2,2-4H3
InChIKey: YKAUGLOLMDQBGQ-UHFFFAOYSA-N
Reference
CAS: 951765-88-1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum ouvrardianum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 519.5940000000004
TPSA？: 99.21
MolLogP？: 2.9509000000000007
Number of H-Donors: 0
Number of H-Acceptors: 8
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|