(1S,2R,3R,4R,5S,6S,8S,9S,10R,13S,16S,17R)-11-ethyl-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecane-4,8-diol
AlkaPlorer ID: AK340872
Synonym: None
IUPAC Name: (6S,8S,13S)-11-ethyl-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8-diol
Structure
SMILES: CCN1C[C@]2(COC)CCC(OC)C34C5CC6C(O)C5[C@](O)(C[C@@H]6OC)C(CC32)C14
InChI: InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13?,14?,15?,16-,17?,18?,19?,20?,21?,22-,23-,24?/m0/s1
InChIKey: BDCURAWBZJMFIK-QKNOXMJZSA-N
Reference
A diterpenoid alkaloid from Aconitum vilmorinianum var. patentipilum
PubChem CID: 5321607
LOTUS: LTS0241059
NPASS: NPC322988
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum nemorum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 421.57800000000015
TPSA？: 71.39000000000001
MolLogP？: 1.5311999999999997
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|