(1S,2R,3R,4S,5S,6S,8S,9S,10R,13S,16S,17R)-11-ethyl-6,8,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-ol
AlkaPlorer ID: AK155374
Synonym: None
IUPAC Name: (1S,2R,3R,4S,5S,6S,8S,9S,10R,13S,16S,17R)-11-ethyl-6,8,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-ol
Structure
SMILES: CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14
InChI: InChI=1S/C25H41NO5/c1-6-26-12-23(13-28-2)8-7-19(30-4)25-15-9-14-17(29-3)11-24(31-5,20(15)21(14)27)16(22(25)26)10-18(23)25/h14-22,27H,6-13H2,1-5H3/t14-,15-,16+,17+,18-,19+,20-,21+,22-,23+,24+,25-/m1/s1
InChIKey: FNFJKGHXFUWFRN-YNLINXDKSA-N
Reference
Alkaloidas of Aconitum columbianum Nutt.
PubChem CID: 162885353
LOTUS: LTS0211474
SuperNatural Ⅲ: SN0090251-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum columbianum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 435.6050000000002
TPSA？: 60.390000000000015
MolLogP？: 2.1853
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|