8-(acetyloxy)-11-ethyl-5,15-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,?.0¹,¹?.0³,?.0¹³,¹?]nonadecan-4-yl 4-methoxybenzoate
AlkaPlorer ID: AK269261
Synonym: None
IUPAC Name: [8-acetyloxy-11-ethyl-5,15-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate
Structure
SMILES: CCN1CC2(COC)CC(O)C(OC)C34C5CC6(O)C(OC)CC(OC(C)=O)(C5C6OC(=O)C5=CC=C(OC)C=C5)C(C(OC)C23)C14
InChI: InChI=1S/C35H49NO11/c1-8-36-16-32(17-41-3)14-22(38)29(45-7)35-21-13-33(40)23(43-5)15-34(47-18(2)37,25(28(35)36)26(44-6)27(32)35)24(21)30(33)46-31(39)19-9-11-20(42-4)12-10-19/h9-12,21-30,38,40H,8,13-17H2,1-7H3
InChIKey: DLUIQNPSQORVTK-UHFFFAOYSA-N
Reference
Three New Diterpenoid Alkaloids from Roots of Aconitum ouvrardianum HAND.-MAZZ.
PubChem CID: 163044457
LOTUS: LTS0084418
COCONUT: CNP0326287
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum ouvrardianum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 659.7730000000004
TPSA？: 142.45000000000002
MolLogP？: 1.685900000000003
Number of H-Donors: 2
Number of H-Acceptors: 12
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|