Tephrosin
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Grundinformationen
- CAS
76-80-2- Standard-SMILES
COc1cc2c(cc1OC)[C@]1(O)C(=O)c3ccc4c(c3O[C@@H]1CO2)C=CC(C)(C)O4- InChIKey
AQBZCCQCDWNNJQ-AUSIDOKSSA-N- Summenformel
- C23H22O7
- Durchschnittliche Molmasse
- 410,422 g/mol
- Monoisotopische Masse
- 410,13655304
Namen und Bezeichner
- Bevorzugter Name
- Tephrosin
- IUPAC
- (7aR,13aR)-7a-Hydroxy-9,10-dimethoxy-3,3-dimethyl-13,13a-dihydro-3H-pyrano[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-7(7aH)-one
- Englischer Name
- (-)-TEPHROSIN
- Summenformel
- C23H22O7
- Molmasse
- 410.42
Namen und Synonyme
Deguelinol IIsotephrosin(-)-TEPHROSINHydroxydeguelinTephrosin (synthetic)(-)-TEPHROSIN USP/EP/BPTephrosin >=95% (LC/MS-ELSD)13,13a-Dihydro-7a-hydroxy-9,10-dimethoxy-3,3-dimethyl-3H-bis[1]benzopyrano[3,4-b:6',5'-e]pyran-7(7aH)-one3H-Bis[1]benzopyrano[3,4-b:6',5'-e]pyran-7- (7aH)-one,13,13a-dihydro-7a-hydroxy-9,10- dimethoxy-3,3-dimethyl-,(7aR,13aR)-
Datenbank-Bezeichner
- CAS
76-80-2- PubChem CID
- 114909
- DTXSID
DTXSID20878627- ChEMBL
CHEMBL241806- ChEBI
CHEBI:9442- UNII
- 9C081V83CC
- EC Number
- 804-719-8
- Nikkaji
- J2.265.546I
Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 198 ° · 198° (218-220°)
- Siedepunkt
- 450.42 °C · 450.42°C (rough estimate)
- Dichte
- 1.2284 · 1.2284 (rough estimate)
- Brechungsindex
- 1.53 · 1.5300 (estimate)
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- Aggregatzustand
- Cryst.
- pka
- 10.47 · 10.47±0.40(Predicted)
- Farbe
- White to off-white
- Major Application
- metabolomicsvitamins, nutraceuticals, and natural products
- InChI
- 1S/C23H22O7/c1-22(2)8-7-12-15(30-22)6-5-13-20(12)29-19-11-28-16-10-18(27-4)17(26-3)9-14(16)23(19,25)21(13)24/h5-10,19,25H,11H2,1-4H3/t19-,23-/m1/s1
- InChIKey
- AQBZCCQCDWNNJQ-AUSIDOKSSA-N
- SMILES
- COc1cc2OC[C@H]3Oc4c(ccc5OC(C)(C)C=Cc45)C(=O)[C@@]3(O)c2cc1OC
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 3077 9 / PGIII
- risk_code
- 50
- hazard_code
- N
- safety_code
- 61
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1
Chemie und Industrie
Anwendungen
VerwendenTephrosin as a natural rotenoid obtained from Tephrosia vogelii and displays anticancer activity.
Anbieter41 Anbieter
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Ergänzende Hinweise
DefinitionChEBI: A member of the class of rotenones that is 13,13a-dihydro-3H-chromeno[3,4-b]pyrano[2,3-h]chromen-7(7aH)-one substituted with geminal methyl groups at position 3, hydroxy group at position 7a a d methoxy groups at positions 9 and 10 (the 7aR,13aR stereoisomer). It is isolated from the leaves and twigs of Antheroporum pierrei and exhibits antineoplastic and pesticidal activities.
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