Desatrine
Grundinformationen
- CAS
6746-01-6- Standard-SMILES
CC[C@@H](C)C(=O)O[C@H]1[C@H](O)[C@H]2[C@@H](CN3C[C@@H](C)CC[C@H]3[C@@]2(C)O)[C@@H]2C[C@@]34O[C@]5(O)[C@@H]([C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3[C@@]21O)[C@]4(C)CC[C@@H]5O- InChIKey
HVONCUWNOXWZCA-JKPBPCCESA-N- Summenformel
- C36H55NO12
- Durchschnittliche Molmasse
- 693,8 g/mol
- Monoisotopische Masse
- 693,37242619
Namen und Bezeichner
- Bevorzugter Name
- Desatrine
- IUPAC
- [(1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,16S,17R,18R,19S,22S,23R,25R)-16,17-diacetyloxy-10,12,14,22,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-13-yl] (2R)-2-methylbutanoate
- Englischer Name
- 4α,9-Epoxycevane-3β,4,6α,7α,14,15α,16β,20-octol 6,7-diacetate 15-[(R)-2-methylbutanoate]
- Summenformel
- C36H55NO12
- Molmasse
- 693.83
Namen und Synonyme
DesatrineDesatrine [MI]PLB0L4978YProtoverine, diacetate 15-(2-methylbutyrate6746-01-6Protoverine 6,7-diacetate 15-((-)-(2R)-2-methylbutyrate)UNII-PLB0L4978YQ272866164alpha,9-Epoxycevane-3beta,4,6alpha,7alpha,14,15alpha,16beta,20-octol 6,7-diacetate 15-[(R)-2-methylbutanoate]CEVANE-3,4,6,7,14,15,16,20-OCTOL, 4,9-EPOXY-, 6,7-DIACETATE 15-((2R)-2-METHYLBUTANOATE), (3.BETA.,4.ALPHA.,6.ALPHA.,7.ALPHA.,15.ALPHA.,16.BETA.)-Cevane-3,4,6,7,14,15,16,20-octol, 4,9-epoxy-, 6,7-diacetate 15-((2R)-2-methylbutanoate), (3beta,4alpha,6alpha,7alpha,15alpha,16beta)-CEVANE-3,4,6,7,14,15,16,20-OCTOL, 4,9-EPOXY-, 6,7-DIACETATE 15-(2-METHYLBUTANOATE), (3.BETA.,4.ALPHA.,6.ALPHA.,7.ALPHA.,15.ALPHA.(R),16.BETA.)-
Weitere Namen anzeigen
4α,9-Epoxycevane-3β,4,6α,7α,14,15α,16β,20-octol 6,7-diacetate 15-[(R)-2-methylbutanoate]Cevane-3,4,6,7,14,15,16,20-octol, 4,9-epoxy-, 6,7-diacetate 15-[(2R)-2-methylbutanoate], (3β,4α,6α,7α,15α,16β)- (9CI)
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,1
- Polarare Oberfläche (TPSA)
- 193 Ų
- H-Brücken-Donoren
- 5
- H-Brücken-Akzeptoren
- 13
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 49
- Formalladung
- 0
- Komplexität
- 1.400
Physikochemische Eigenschaften
- Siedepunkt
- 750.9 · 750.9±60.0 °C(Predicted)
- Dichte
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 11.27 · 11.27±0.70(Predicted)
Chemie und Industrie
Anwendungen
Verwenden4α,9-Epoxycevane-3β,4,6α,7α,14,15α,16β,20-octol 6,7-diacetate 15-[(R)-2-methylbutanoate] can be used as insecticides.
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