4-Hydroxy-3-methyl-2-butenoic acid; (Z)-form, Nitrile, O-(14Z-eicosenoyl)
AlkaPlorer ID: AK301461
Synonym: 4-(14Z-Eicosenoyloxy)-3-methyl-2-butenenitrile
IUPAC Name: None
Structure
SMILES: CCCCC/C=C\CCCCCCCCCCCCC(=O)OC/C(C)=C/C#N
InChI: InChI=1S/C25H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(27)28-23-24(2)21-22-26/h7-8,21H,3-6,9-20,23H2,1-2H3/b8-7-,24-21+
InChIKey: GHNBRNPKCNRJOJ-LELUSZBPSA-N
Reference
CAS: 312321-16-7
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Koelreuteria paniculata | Koelreuteria | Sapindaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 389.6240000000001
TPSA？: 50.09
MolLogP？: 7.817180000000008
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|