(6S)-6,7,8,9-Tetrahydro-6-hydroxy-6-hydroxymethyl-1-methylphenanthro(1,2-b)furan-10,11-dione
Grundinformationen
- CAS
97411-46-6- Standard-SMILES
Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCC[C@]2(O)CO- InChIKey
TZHMQUSSYNZSTA-SFHVURJKSA-N- Summenformel
- C18H16O5
- Durchschnittliche Molmasse
- 312,3 g/mol
Überblick
(6S)-6,7,8,9-Tetrahydro-6-hydroxy-6-hydroxymethyl-1-methylphenanthro[1,2-b]furan-10,11-dione has been reported in Salvia miltiorrhiza with data available.
Namen und Bezeichner
- Bevorzugter Name
- (6S)-6,7,8,9-Tetrahydro-6-hydroxy-6-hydroxymethyl-1-methylphenanthro(1,2-b)furan-10,11-dione
- IUPAC
- (6R)-6-hydroxy-6-(hydroxymethyl)-1-methyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione
- Englischer Name
- (6S)-6,7,8,9-Tetrahydro-6-hydroxy-6-hydroxymethyl-1-methylphenanthro[1,2-b]furan-10,11-dione
- Summenformel
- C18H16O5
- Molmasse
- 312.32
Namen und Synonyme
(6S)-6,7,8,9-Tetrahydro-6-hydroxy-6-hydroxymethyl-1-methylphenanthro[1,2-b]furan-10,11-dione(6R)-6-hydroxy-6-(hydroxymethyl)-1-methyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione(6R)-6-hydroxy-6-(hydroxymethyl)-1-methyl-8,9-dihydro-7H-naphtho(1,2-g)(1)benzofuran-10,11-dione(6S)-6,7,8,9-TETRAHYDRO-6-HYDROXY-6-HYDROXYMETHYL-1-METHYLPHENANTHRO(1,2-B)FURAN-10,11-DIONERefChem:19652697411-46-6orb1681614TN5095AKOS040762393HY-123895CS-0086773Tanshindiol A
Weitere Namen anzeigen
(6S)-6,7,8,9-Tetrahydro-6-hydroxy-6-hydroxymethyl-1-methylphenthro[1,2-b]furan-10,11-dione6-hydroxy-6-(hydroxymethyl)-1-methyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione(6R)-6,7,8,9-Tetrahydro-6-hydroxy-6-(hydroxymethyl)-1-methyl-phenanthro[1,2-b]furan-10,11-dionePhenanthro[1,2-b]furan-10,11-dione, 6,7,8,9-tetrahydro-6-hydroxy-6-(hydroxymethyl)-1-methyl-, (6R)-
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,1
- Polarare Oberfläche (TPSA)
- 87,7 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 23
- Formalladung
- 0
- Komplexität
- 532
Physikochemische Eigenschaften
- Siedepunkt
- 598.914 · 598.914±50.00 °C(Press: 760.00 Torr)(predicted)
- Dichte
- 1.426 · 1.426±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- Löslichkeit
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- Aggregatzustand
- powder
- pka
- 13.465 · 13.465±0.20(predicted)
- Farbe
- Red
Chemie und Industrie
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