Gibban-1,10-dicarbonsure, 2,4a-Dihydroxy-1-methyl-8-methylen-, 1,4a-Lacton, (1α,2β,4aα,4bβ,10β)-
Gibberellin A4
Grundinformationen
- CAS
468-44-0- Standard-SMILES
C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O- InChIKey
RSQSQJNRHICNNH-NFMPGMCNSA-N- Summenformel
- C19H24O5
- Durchschnittliche Molmasse
- 332,4 g/mol
- Monoisotopische Masse
- 332,16237386
Überblick
Gibberellin A4 is a C19-gibberellin, initially identified in Gibberella fujikuroi and differing from gibberellin A1 by the substitution of the OH at C-7 (gibbane numbering) by H. It has a role as a plant metabolite. It is a C19-gibberellin, a lactone and a gibberellin monocarboxylic acid. It is a conjugate acid of a gibberellin A4(1-).
Namen und Bezeichner
- Bevorzugter Name
- Gibberellin A4
- IUPAC
- (1R,2R,5R,8R,9S,10R,11S,12S)-12-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
- Lokaler Name
- Gibban-1,10-dicarbonsure, 2,4a-Dihydroxy-1-methyl-8-methylen-, 1,4a-Lacton, (1α,2β,4aα,4bβ,10β)-
- Englischer Name
- Gibberellin A4
- Summenformel
- C19H24O5
- Molmasse
- 332.39
Namen und Synonyme
Gibberellin A4468-44-0gibberellin 4CHEBI:329021360M56KLCDTXSID208968612beta,4a-dihydroxy-1-methyl-8-methylene-4aalpha,4bbeta-gibbane-1alpha,10beta-dicarboxylic acid, 1,4a-lactone4aalpha,4bbeta-Gibbane-1alpha,10beta-dicarboxylic acid, 2beta,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone(1R,2R,5R,8R,9S,10R,11S,12S)-12-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid(1R,2R,5R,8R,9S,10R,11S,12S)-12-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo(9.3.2.15,8.01,10.02,8)heptadecane-9-carboxylic acidRefChem:143113DTXCID101326321
Weitere Namen anzeigen
GiclazideGibberllin GA4GibberellinA4+7g ibberllin A4Gibberellic(GA4)
207-406-9GA4Gibberellic acid A4(1S,2S,4aR,4bR,7R,9aR,10S,10aR)-2-Hydroxy-1-methyl-8-methylene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid(1S,2S,4aR,4bR,7R,9aR,10S,10aR)-2-hydroxy-1-methyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acidGibbane-1,10-dicarboxylic acid, 2,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1.alpha.,2.beta.,4a.alpha.,4b.beta.,10.beta.)-EINECS 207-406-9Epitope ID:158628
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 83,8 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 24
- Formalladung
- 0
- Komplexität
- 685
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C20 isoprenoids (diterpenes) [PR0104]
Physikochemische Eigenschaften
- Schmelzpunkt
- 216 · 216 - 218°C
- Siedepunkt
- 574 ℃ · 574℃
- Dichte
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- Flammpunkt
- 110 ° · >110°(230°F)
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- Soluble in methanol or ethanol. Also soluble in aqueous sodium bicarbonate or sodium acetate
- pka
- 4.24 · 4.24±0.60(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
- Stabilität
- Light Sensitive
- Major Application
- agriculture
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Commission Regulation (EC) No 2229/2004
Gibberellic Acid A4: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Gibbane-1,10-dicarboxylic acid, 2,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1.alpha.,2.beta.,4a.alpha.,4b.beta.,10.beta.)-: Environment tier I assessment
Hazard Classes and CategoriesSkin Sens. 1 (50%)
Sicherheitsdaten
- wgk
- 3
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
VerwendenGibberellin A4 is a plant growth hormone that regulates growth and differentiation of plant cells for elongation, germination and enzyme induction.
Anbieter100 Anbieter
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