Dehydroacosanine
AlkaPlorer ID: AK077471
Synonym: '(+)-Dehydroacosanine'
IUPAC Name: (1S,2R,3R,4S,5R,6S,8R,9R,10S,13S,16S,17R)-11-ethyl-8,9-dihydroxy-4,6,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-18-one
Structure
SMILES: CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)(C(=O)[C@H]23)[C@@H]14
InChI: InChI=1S/C25H39NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)33-5)25(29,21(24)26)20(27)19(22)24/h13-19,21,28-29H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19-,21+,22+,23-,24+,25-/m1/s1
InChIKey: AYTFWBKYUIWMFQ-BWIDGEAMSA-N
Reference
Alkaloids of Aconitum sajanense II. Structure of dehydroacosanine
PubChem CID: 162934165
LOTUS: LTS0198373
SuperNatural Ⅲ: SN0018981-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum barbatum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 465.5870000000002
TPSA？: 97.69
MolLogP？: 0.4792000000000021
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|