(1R,2S,3R,4S,5S,6S,8S,9S,10R,13S,16S,17R)-11-ethyl-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecane-2,4,8,16-tetrol
AlkaPlorer ID: AK204242
Synonym: None
IUPAC Name: (1R,2S,3R,4S,5S,6S,8S,9S,10R,13S,16S,17R)-11-ethyl-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-2,4,8,16-tetrol
Structure
SMILES: CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@]4(O)[C@@H]1[C@H]2O
InChI: InChI=1S/C23H37NO6/c1-4-24-10-20(11-29-2)6-5-16(25)23-15(20)7-13(19(23)24)21(27)9-14(30-3)12-8-22(23,28)18(21)17(12)26/h12-19,25-28H,4-11H2,1-3H3/t12-,13+,14+,15-,16+,17+,18-,19-,20+,21+,22+,23+/m1/s1
InChIKey: MRRCEBWYLXRYLK-KOWPDBJSSA-N
Reference
On the Alkaloidal Constituents of Aconitum sanyoense NAKAI var. tonense NAKAI.
PubChem CID: 101636478
LOTUS: LTS0251798
SuperNatural Ⅲ: SN0233578-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum sanyoense | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 423.5500000000002
TPSA？: 102.62000000000002
MolLogP？: -0.0079999999999983
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|