(3R,4aR,6aR,12aR,12bR)-9-[(1S,3S)-1,3-Dimethyl-2-oxopentyl]-1,2,3,4a,5,6,6a,12,12a,12b-decahydro-3-(1-hydroxy-1-methylethyl)-6a,12b-dimethylpyrano[3,2-a]xanthene-8,11-dione
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Grundinformationen
- CAS
32450-26-3- Standard-SMILES
CC[C@H](C)C(=O)[C@@H](C)C1=CC(=O)C2=C(O[C@]3(C)CC[C@H]4O[C@@H](C(C)(C)O)CC[C@]4(C)[C@H]3C2)C1=O- InChIKey
NTPNSKLZWVYKGK-WWURSIHSSA-N- Summenformel
- C28H40O6
- Durchschnittliche Molmasse
- 472,622 g/mol
- Monoisotopische Masse
- 472,282489
Namen und Bezeichner
- Bevorzugter Name
- (3R,4aR,6aR,12aR,12bR)-9-[(1S,3S)-1,3-Dimethyl-2-oxopentyl]-1,2,3,4a,5,6,6a,12,12a,12b-decahydro-3-(1-hydroxy-1-methylethyl)-6a,12b-dimethylpyrano[3,2-a]xanthene-8,11-dione
- Englischer Name
- COCHLIOQUINONE B
- Summenformel
- C28H40O6
- Molmasse
- 472.61
Namen und Synonyme
COCHLIOQUINONE B20-De(acetyloxy)-11-deoxy-20-oxocochlioquinone APyrano[3,2-a]xanthene-8,11-dione, 9-[(1S,3S)-1,3-dimethyl-2-oxopentyl]-1,2,3,4a,5,6,6a,12,12a,12b-decahydro-3-(1-hydroxy-1-methylethyl)-6a,12b-dimethyl-, (3R,4aR,6aR,12aR,12bR)-
Datenbank-Bezeichner
- CAS
32450-26-3- PubChem CID
- 182083
- DTXSID
DTXSID401099098- ChEMBL
CHEMBL2288169- Nikkaji
- J41.402F
Eigenschaften
Physikochemische Eigenschaften
- Siedepunkt
- 579.4 · 579.4±50.0 °C(Predicted)
- Dichte
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- DMF: Soluble; DMSO: Soluble; Ethanol: Soluble; Methanol: Soluble
- Aggregatzustand
- A solid
- pka
- 14.54 · 14.54±0.29(Predicted)
Chemie und Industrie
Anwendungen
VerwendenCochlioquinone B, the minor component of a bioactive pigment isolated from Bipolaris leersia, is an NADH-ubiquinone reductase inhibitor and phytotoxic agent inhibiting root growth. It is closely related to Cochlioquinone A which inhibits diacylglycerol acyltransferase and exhibits anti-angiogenic and nematocidal activity. Cochlioquinones have recently been shown to be antagonists of the human chemokine receptor, CCR5, in HIV-1.
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