(1R,2S,5R,8R,9R,10S,11R,13R,14S,15R,16R)-7-ethyl-2,11-dihydroxy-5-methyl-12-methylidene-7-azahexacyclo[7.6.2.2¹⁰,¹³.0¹,⁸.0⁵,¹⁶.0¹⁰,¹⁵]nonadecan-14-yl acetate
AlkaPlorer ID: AK319431
Synonym: None
IUPAC Name: [(8R,9S,11R,13S,14S,15R,16S)-7-ethyl-2,11-dihydroxy-5-methyl-12-methylidene-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadecan-14-yl] acetate
Structure
SMILES: C=C1[C@@H](O)C23CC[C@@H]1[C@H](OC(C)=O)[C@H]2C12C(O)CCC4(C)CN(CC)[C@@H]1[C@H]3C[C@@H]42
InChI: InChI=1S/C24H35NO4/c1-5-25-11-22(4)8-7-17(27)24-16(22)10-15(20(24)25)23-9-6-14(12(2)21(23)28)18(19(23)24)29-13(3)26/h14-21,27-28H,2,5-11H2,1,3-4H3/t14-,15+,16-,17?,18-,19+,20+,21+,22?,23?,24?/m0/s1
InChIKey: WYDGCJLTZZIEHA-REUGTSDXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum kirinense | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 401.54700000000025
TPSA？: 70.0
MolLogP？: 2.3626000000000005
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|