(1S,2R,3R,4S,5R,6S,8R,9R,10R,13S,16S,17R,18R)-8-(acetyloxy)-11-ethyl-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: AK451472
Synonym: None
IUPAC Name: [8-acetyloxy-11-ethyl-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)CCC(OC)C34C5CC6C(OC)CC(OC(C)=O)(C5C6OC(=O)C5=CC=C(OC)C=C5)C(C(OC)C23)C14
InChI: InChI=1S/C35H49NO9/c1-8-36-17-33(18-39-3)14-13-25(42-6)35-23-15-22-24(41-5)16-34(45-19(2)37,27(31(35)36)29(43-7)30(33)35)26(23)28(22)44-32(38)20-9-11-21(40-4)12-10-20/h9-12,22-31H,8,13-18H2,1-7H3
InChIKey: LYUPEIXJYAJCHL-UHFFFAOYSA-N
Reference
Norditerpenoid alkaloids from Aconitum transsectum
PubChem CID: 13817036
CAS: 73870-35-6
LOTUS: LTS0086937
COCONUT: CNP0234377.6
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum forrestii | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 627.7750000000003
TPSA？: 101.99
MolLogP？: 3.600200000000004
Number of H-Donors: 0
Number of H-Acceptors: 10
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|