[2]Benzopyrano[7,6-f]indazole-8-acetic acid, 2,4,6,8,9,11-hexahydro-5,10-dihydroxy-2,6-dimethyl-4,11-dioxo-, methyl ester
Grundinformationen
- CAS
15298-42-7- Standard-SMILES
COC(=O)CC1Cc2c(O)c3c(c(O)c2C(C)O1)C(=O)c1cn(C)nc1C3=O- InChIKey
CNFRFHRDMCWFDB-UHFFFAOYSA-N- Summenformel
- C19H18N2O7
- Durchschnittliche Molmasse
- 386,4 g/mol
- Monoisotopische Masse
- 386,11140092
Namen und Bezeichner
- Bevorzugter Name
- [2]Benzopyrano[7,6-f]indazole-8-acetic acid, 2,4,6,8,9,11-hexahydro-5,10-dihydroxy-2,6-dimethyl-4,11-dioxo-, methyl ester
- IUPAC
- methyl 2-(5,10-dihydroxy-2,6-dimethyl-4,11-dioxo-8,9-dihydro-6H-isochromeno[7,6-f]indazol-8-yl)acetate
- Englischer Name
- 2,4,6,8,9,11-Hexahydro-5,10-dihydroxy-2,6-dimethyl-4,11-dioxo[2]benzopyrano[7,6-f]indazole-8-acetic acid methyl ester
- Summenformel
- C19H18N2O7
- Molmasse
- 386.36
Namen und Synonyme
15298-42-7methyl 2-(11-hydroxy-2,6-dimethyl-4,5,10-trioxo-1,6,8,9-tetrahydroisochromeno[7,6-f]indazol-8-yl)acetate[2]Benzopyrano[7,6-f]indazole-8-acetic acid, 2,4,6,8,9,11-hexahydro-5,10-dihydroxy-2,6-dimethyl-4,11-dioxo-, methyl esterCNFRFHRDMCWFDB-UHFFFAOYSA-N2,4,6,8,9,11-Hexahydro-5,10-dihydroxy-2,6-dimethyl-4,11-dioxo[2]benzopyrano[7,6-f]indazole-8-aceticMethyl (5,10-dihydroxy-2,6-dimethyl-4,11-dioxo-2,4,6,8,9,11-hexahydroisochromeno[7,6-f]indazol-8-yl)acetate #methyl 2-(5,10-dihydroxy-2,6-dimethyl-4,11-dioxo-8,9-dihydro-6H-isochromeno[7,6-f]indazol-8-yl)acetate2,4,6,8,9,11-Hexahydro-5,10-dihydroxy-2,6-dimethyl-4,11-dioxo[2]benzopyrano[7,6-f]indazole-8-acetic acid methyl esterPyrano[4',3':4,5]benz[1,2-f]indazole-8-acetic acid, 2,4,6,8,9,11-hexahydro-5,10-dihydroxy-2,6-dimethyl-4,11-dioxo-, methyl ester
Datenbank-Bezeichner
- CAS
15298-42-7- PubChem CID
- 536807
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,9
- Polarare Oberfläche (TPSA)
- 128 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 28
- Formalladung
- 0
- Komplexität
- 685
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