Versicolorin A
Grundinformationen
- CAS
6807-96-1- Standard-SMILES
O=C1c2cc(O)cc(O)c2C(=O)c2c1cc1c(c2O)[C@@H]2C=CO[C@@H]2O1- InChIKey
SJNDYXPJRUTLNW-ULCDLSAGSA-N- Summenformel
- C18H10O7
- Durchschnittliche Molmasse
- 338,3 g/mol
- Monoisotopische Masse
- 338,04265265
Überblick
Versicolorin A is an organic heteropentacyclic compound that is 3a,12a-dihydroanthra[2,3-b]furo[3,2-d]furan-5,10-dione carrying three hydroxy substituents at positions 4, 6 and 8. It has a role as a carcinogenic agent and an Aspergillus metabolite. It is a member of p-quinones, a polyphenol, an organic heteropentacyclic compound and a cyclic acetal. It is a conjugate acid of a versicolorin A(1-).
Namen und Bezeichner
- Bevorzugter Name
- Versicolorin A
- IUPAC
- (4S,8R)-2,16,18-trihydroxy-7,9-dioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14(19),15,17-heptaene-13,20-dione
- Englischer Name
- versicolorin A
- Summenformel
- C18H10O7
- Molmasse
- 338.27
Namen und Synonyme
Versicolorin AVersicolorin6807-96-1Z-(-)-4,6,8-Trihydroxy-3a,12a-dihydroanthra(2,3-b)furo(3,2-d)furan-5,10-dioneDU1M9U6126CHEBI:72676NSC-274542Anthra(2,3-b)furo(3,2-d)furan-5,10-dione, 3a,12a-dihydro-4,6,8-trihydroxy-, (3aS,12aR)-(4S,8R)-2,16,18-trihydroxy-7,9-dioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14(19),15,17-heptaene-13,20-dione(3aS,12aR)-4,6,8-trihydroxy-3a,12a-dihydroanthra[2,3-b]furo[3,2-d]furan-5,10-dioneAnthra[2,3-b]furo[3,2-d]furan-5,10-dione, 3a,12a-dihydro-4,6,8-trihydroxy-, (3aS-cis)-ANTHRA(2,3-B)FURO(3,2-D)FURAN-5,10-DIONE, 3A,12A-DIHYDRO-4,6,8-TRIHYDROXY-, (3AS-CIS)-
Weitere Namen anzeigen
(3aS,12aR)-4,6,8-trihydroxy-3a,12a-dihydroanthra(2,3-b)furo(3,2-d)furan-5,10-dione(4S,8R)-2,16,18-trihydroxy-7,9-dioxapentacyclo(10.8.0.03,10.04,8.014,19)icosa-1,3(10),5,11,14(19),15,17-heptaene-13,20-dioneAnthra[2,3-b]furo[3,2-d]furan-5,10-dione, 3a,12a-dihydro-4,6,8-trihydroxy-, (3aS,12aR)-RefChem:194066Anthra(2,3-b)furo(3,2-d)furan-5,10-dione, 3a,12a-dihydro-4,6,8-trihydroxy-, Z-(-)-UNII-DU1M9U6126CCRIS 3475NSC 274542
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,6
- Polarare Oberfläche (TPSA)
- 113 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 25
- Formalladung
- 0
- Komplexität
- 645
Physikochemische Eigenschaften
- Schmelzpunkt
- 289 °C · 289°C (rough estimate)
- Siedepunkt
- 434.43 °C · 434.43°C (rough estimate)
- Dichte
- 1.3994 · 1.3994 (rough estimate)
- Brechungsindex
- 1.638 · 1.6380 (estimate)
Chemie und Industrie
Ergänzende Hinweise
DefinitionChEBI: An organic heteropentacyclic compound that is 3a,12a-dihydroanthra[2,3-b]furo[3,2-d]furan-5,10-dione carrying three hydroxy substituents at positions 4, 6 and 8.
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