3-β,14-Dihydroxy-5-β,14-β-card-20(22)-enolid
|
|
|
- CAS-Nr.
- 143-62-4
- Bezeichnung:
- 3-β,14-Dihydroxy-5-β,14-β-card-20(22)-enolid
- Englisch Name:
- DIGITOXIGENIN
- Synonyma:
- echujetin;evonogenin;NSC 407806;THEVETIGENIN;cerberigenin;igitoxigenin;DIGITOXYGENIN;DIGITOXIGENIN;digitoxigenine;Digitoxigenin >
- CBNumber:
- CB8187462
- Summenformel:
- C23H34O4
- Molgewicht:
- 374.51
- MOL-Datei:
- 143-62-4.mol
|
3-β,14-Dihydroxy-5-β,14-β-card-20(22)-enolid Eigenschaften
- Schmelzpunkt:
- 253-255 °C (dec.)(lit.)
- Siedepunkt:
- 423.5°C (rough estimate)
- alpha
- D17 +19.1° (c = 1.36 in methanol)
- Dichte
- 1.0284 (rough estimate)
- Brechungsindex
- 1.4433 (estimate)
- storage temp.
- Store at -20°C
- L?slichkeit
- DMF: 25 mg/ml; DMF:PBS(pH 7.2)(1:1): 0.5 mg/ml; DMSO: 20 mg/ml; Ethanol: 5 mg/ml
- Aggregatzustand
- powder to crystal
- pka
- 14.93±0.70(Predicted)
- Farbe
- White to Almost white
- Optische Rotation
- +2323 (c 0.5, CHCl3)
- Wasserl?slichkeit
- 11.24mg/L(30 ºC)
- Merck
- 14,3162
- BRN
- 95448
- Stabilit?t:
- Hygroscopic
- InChIKey
- XZTUSOXSLKTKJQ-CESUGQOBSA-N
- SMILES
- [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@]34O)C5=CC(=O)OC5)[C@@]1(C)CC[C@H](O)C2
- LogP
- 2.640
- CAS Datenbank
- 143-62-4(CAS DataBase Reference)
Sicherheit
- Risiko- und Sicherheitserkl?rung
- Gefahreninformationscode (GHS)
| Kennzeichnung gef?hrlicher |
T |
|
|
| R-S?tze: |
25 |
|
|
| S-S?tze: |
45 |
|
|
| RIDADR |
UN 3462 6.1/PG 2 |
|
|
| WGK Germany |
3 |
|
|
| RTECS-Nr. |
FH4975000 |
|
|
| HS Code |
2938.90.0000 |
|
|
| HazardClass |
6.1(a) |
|
|
| PackingGroup |
II |
|
|
| Speicherklasse |
6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials |
|
|
| Hazard Classifications |
Acute Tox. 2 Oral |
|
|
| Toxizit?t |
cat,LDLo,intravenous,254ug/kg (0.254mg/kg),GASTROINTESTINAL: NAUSEA OR VOMITING,Journal of the American Pharmaceutical Association. Vol. 27, Pg. 189, 1938. |
|
|
| Bildanzeige (GHS) |
|
| Alarmwort |
Achtung
|
| Gefahrenhinweise |
| Code |
Gefahrenhinweise |
Gefahrenklasse |
Abteilung |
Alarmwort |
Symbol |
P-Code |
| H300 |
Lebensgefahr bei Verschlucken. |
Akute Toxizit?t oral |
Kategorie 2 |
Achtung |
|
P264, P270, P301+P310, P321, P330,P405, P501 |
|
| Sicherheit |
| P264 |
Nach Gebrauch gründlich waschen. |
| P264 |
Nach Gebrauch gründlich waschen. |
| P270 |
Bei Gebrauch nicht essen, trinken oder rauchen. |
| P301+P310 |
BEI VERSCHLUCKEN: Sofort GIFTINFORMATIONSZENTRUM/Arzt/... (geeignete Stelle für medizinische Notfallversorgung vom Hersteller/Lieferanten anzugeben) anrufen. |
| P405 |
Unter Verschluss aufbewahren. |
| P501 |
Inhalt/Beh?lter ... (Entsorgungsvorschriften vom Hersteller anzugeben) zuführen. |
|
3-β,14-Dihydroxy-5-β,14-β-card-20(22)-enolid Chemische Eigenschaften,Einsatz,Produktion Methoden
R-S?tze Betriebsanweisung:
R25:Giftig beim Verschlucken.
S-S?tze Betriebsanweisung:
S45:Bei Unfall oder Unwohlsein sofort Arzt zuziehen (wenn m?glich, dieses Etikett vorzeigen).
Verwenden
Cardiotonic;Na+ K+ ATPase inhibitor
l?uterung methode
Dissolve digitoxigenin in EtOAc, wash it with H2O, dry it (Na2SO4), evaporate and recrystallise it from 40% aqueous EtOH or aqueous MeOH then EtOAc/Et2O. The UV has max at 218nm ( 14,500 M-1cm-1). The 3-acetate crystallises from Me2CO/Et2O with m 222-227o, [] D 20 +21o (c 1, CHCl3). [Wyss et al. Helv Chim Acta 43 644 1960, Cruz et al. J Org Chem 4 2 3580 1977, Beilstein 18 IV 1468.]
3-β,14-Dihydroxy-5-β,14-β-card-20(22)-enolid Upstream-Materialien And Downstream Produkte
Upstream-Materialien
Downstream Produkte
3-β,14-Dihydroxy-5-β,14-β-card-20(22)-enolid Anbieter Lieferant Produzent Hersteller Vertrieb H?ndler.
Global( 148)Lieferanten
143-62-4(3-β,14-Dihydroxy-5-β,14-β-card-20(22)-enolid)Verwandte Suche:
3-β,14-Dihydroxy-5-β,14-β-card-20(22)-enolid
Digitoxin
Lanatosid B
(3β,5β)-3-[(6-Deoxy-3-O-methyl-α-L-glucopyranosyl)oxy]-14-hydroxy-19-oxocard-20(22)-enolid
Card-20(22)-enolid, 3-((O-2,6-Di-deoxy-4-O-methyl-beta-D-ribo-hexo-pyranosyl-(1=>4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-L-(1=>4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydro-xy-, (3 beta, 5 beta, 12 beta)-
3 beta, 14, 16 beta-Trihydroxy-5 beta, 14 beta-card-20(22)-enolid
Digitalin
Gitoxin
Digoxin
(3β,5β,12β)-3,12,14-Trihydroxycard-20(22)-enolid
Lanatosid C
Acetyldigitoxin
Deslanosid
(5β)-3β-[(6-Desoxy-3-O-methyl-α-L-glucopyranosyl)oxy]-14-hydroxycard-20(22)-enolid
Lanatosid A
Card-20(22)-enolid, 3-((0-3-0-Acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1=>4)-O-2,6-dideoxy-beta-D-ribo-hexopyrano-syl)-(1=>4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxy-, (3 beta, 5 beta,12 beta)-
(1β,3β,5β)-3-[(6-desoxy-3-O-methyl-α-L-talopyranosyl)oxy]-1,14-dihydroxycard-20(22)-enolid
Card-20(22)-enolid, 3-[(O-2,6-Dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxy-, (3β,β,12β)-
- echujetin
- evonogenin
- 3-beta,14-dihydroxy-5-beta,14-beta-card-20(22)-enolide
- 3β,14-dihydroxy-5β,20(22)-cardenolide
- DIGITOXYGENIN
- 3β,14-Dihydroxy-5β,20(22)-cardenolide, 3,14,21-Trihydroxy-20(22)-norcholenic acid lactone, 5β,20(22)-Cardenolide-3β,14-diol, Digitoxigenin
- 3β,14-Dihydroxy-5β,20(22)-cardenolide, 3,14,21-Trihydroxy-20(22)-norcholenic acid lactone, 5β,20(22)-Cardenolide-3β,14-diol
- THEVETIGENIN
- 3,14-dihydroxy-,(3-beta,5-beta)-card-20(22)-enolid
- 3-beta,14-dihydroxy-5-beta-card-20(22)-enolid
- 3-beta,14-dihydroxy-5-beta-card-20(22)-enolide
- 3-beta,14-dioxy-carden-(20:22)-olid
- 3-beta,14-dioxy-digen-(20:22)-olid
- cardogenen-(20:22)-diol-(3-beta,14)
- 3β,14-Dihydroxy-5β,14β-card-20(22)-enolide
- 3β,14-Dihydroxy-5β-cardanolide-20(22)-ene
- δ20:22-3,14,21-Trihydroxynorcholenic acid lactone
- 5β,20(22)-Cardenolide-3β
- 3b,14-Dihydroxy-5b-card-20(22)-enolide
- delta20:22-3,14,21-Trihydroxynorcholenic acid lactone
- NSC 407806
- DIGITOXIGENIN
- 5BETA,20[22]-CARDENOLIDE-3BETA,14-DIOL
- 3BETA,14-DIHYDROXY-5BETA,20[22]-CARDENOLIDE
- 20(22),5BETA-CARDENOLID-3BETA,14BETA-DIOL
- 3,14,21-TRIHYDROXY-20(22)-NORCHOLENIC ACID LACTONE
- cerberigenin
- delta-sup(20:22)-3,14,21-trihydroxynorcholenicacidlactone
- digitoxigenine
- Digitoxigenin >
- igitoxigenin
- (+)-digitoxigenin
- Card-20(22)-enolide, 3,14-dihydroxy-, (3β,5β)-
- 3-,14-dihydroxy-5-,14--card-20(22)-enolide
- 143-62-4
- Asymmetric Synthesis
- Chiral Building Blocks
- BioChemical
- Steroids
- Steroids (Others)
- Non-Ionic
- Complex Molecules
- Detergents
- Biochemistry
- Steroids
- Steroids (Others)
- ATPase
