(1S,2R,3R,4R,5S,6S,8R,9R,10R,13S,14R,16S,17S,18R)-8-ethoxy-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-methoxybenzoate
AlkaPlorer ID: AK577614
Synonym: None
IUPAC Name: [8-ethoxy-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-methoxybenzoate
Structure
SMILES: CCOC12CC(OC)C3(O)CC(C1C3OC(=O)C1=CC=C(OC)C=C1)C13C(OC)CC(O)C4(COC)CN(CC)C1C2C(OC)C43
InChI: InChI=1S/C35H51NO10/c1-8-36-17-32(18-40-3)22(37)14-23(42-5)35-21-15-33(39)24(43-6)16-34(45-9-2,26(29(35)36)27(44-7)28(32)35)25(21)30(33)46-31(38)19-10-12-20(41-4)13-11-19/h10-13,21-30,37,39H,8-9,14-18H2,1-7H3
InChIKey: YBCOIJNAMJAFSO-UHFFFAOYSA-N
Reference
The Structures of Four New C19-Diterpenoid Alkaloids from Aconitum forrestii Stapf
PubChem CID: 13817029
LOTUS: LTS0047359
COCONUT: CNP0279803.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum forrestii | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 645.7900000000001
TPSA？: 125.38000000000002
MolLogP？: 2.1593000000000018
Number of H-Donors: 2
Number of H-Acceptors: 11
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|