(1S,3S,4S,7S,8R,11R,12R,13S)-N-(2-hydroxyethyl)-13-isopropyl-N,N,12-trimethyl-9-oxo-2,10-dioxatetracyclo[5.4.1.1⁸,¹¹.0⁴,¹²]tridecan-3-aminium
AlkaPlorer ID: AK384911
Synonym: None
IUPAC Name: 2-hydroxyethyl-dimethyl-[(1S,3S,4S,7S,8S,12R,13S)-12-methyl-9-oxo-13-propan-2-yl-2,10-dioxatetracyclo[5.4.1.18,11.04,12]tridecan-3-yl]azanium
Structure
SMILES: CC(C)[C@@H]1C2OC(=O)[C@H]1[C@@H]1CC[C@@H]3[C@@H]([N+](C)(C)CCO)O[C@H]2[C@@]31C
InChI: InChI=1S/C19H32NO4/c1-10(2)13-14-11-6-7-12-17(20(4,5)8-9-21)24-16(19(11,12)3)15(13)23-18(14)22/h10-17,21H,6-9H2,1-5H3/q+1/t11-,12+,13-,14-,15?,16+,17-,19+/m0/s1
InChIKey: GANHKOAYNCJBFL-CUJQZCKMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dendrobium wardianum | Dendrobium | Orchidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 338.4680000000001
TPSA？: 55.760000000000005
MolLogP？: 1.6398999999999997
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|