14-o-Acetylsachaconitine
AlkaPlorer ID: AK000095
Synonym: None
IUPAC Name: [(2R,3R,4S,5R,6S,8S,9S,10R,13R,16S,17R)-11-ethyl-8-hydroxy-6,16-dimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate
Structure
SMILES: CCN1C[C@@]2(CC[C@@H](C34[C@@H]2C[C@@H]([C@H]31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC(=O)C)OC)O)OC)C
InChI: InChI=1S/C25H39NO5/c1-6-26-12-23(3)8-7-19(30-5)25-15-9-14-17(29-4)11-24(28,16(22(25)26)10-18(23)25)20(15)21(14)31-13(2)27/h14-22,28H,6-12H2,1-5H3/t14-,15-,16+,17+,18-,19+,20-,21+,22-,23+,24+,25?/m1/s1
InChIKey: VYNDUGHWSKLKFB-UHJCDWJLSA-N
Source
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Properties Information
Molecule Weight: 433.5890000000002
TPSA？: 68.23
MolLogP？: 2.4755000000000003
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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