(1R,2S,4S,5S,7S,8S,9S,10S,11R,12R,14S,17S,20R)-19-ethyl-7,9-dimethoxy-13-oxa-19-azaheptacyclo[9.9.0.0¹,¹⁴.0²,¹⁷.0⁴,²⁰.0⁵,¹⁰.0⁸,¹²]icosane-5,10,17-triol
AlkaPlorer ID: AK068760
Synonym: None
IUPAC Name: (1R,2S,4S,5S,7S,8S,9S,10S,11R,12R,14S,17S,20R)-19-ethyl-7,9-dimethoxy-13-oxa-19-azaheptacyclo[9.9.0.01,14.02,17.04,20.05,10.08,12]icosane-5,10,17-triol
Structure
SMILES: CCN1C[C@]2(O)CC[C@@H]3O[C@@H]4[C@@H]5[C@@H](OC)C[C@]6(O)[C@H]7C[C@H]2[C@]3([C@@H]71)[C@H]4[C@]6(O)[C@H]5OC
InChI: InChI=1S/C22H33NO6/c1-4-23-9-19(24)6-5-13-21-12(19)7-10(17(21)23)20(25)8-11(27-2)14-15(29-13)16(21)22(20,26)18(14)28-3/h10-18,24-26H,4-9H2,1-3H3/t10-,11-,12+,13-,14-,15+,16-,17+,18-,19+,20-,21+,22-/m0/s1
InChIKey: LRGRDKFVKMAPSZ-SWJAHKKNSA-N
Reference
Alkaloids of Aconitum karakolicum
PubChem CID: 162894353
LOTUS: LTS0105310
SuperNatural Ⅲ: SN0213234-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum lycoctonum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 407.5070000000001
TPSA？: 91.62000000000002
MolLogP？: -0.2391999999999983
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|