(6S)-6,7,8,9-Tetrahydro-6-hydroxy-6-hydroxymethyl-1-methylphenanthro(1,2-b)furan-10,11-dione
Basic information
- CAS
97411-46-6- Standard SMILES
Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCC[C@]2(O)CO- InChIKey
TZHMQUSSYNZSTA-SFHVURJKSA-N- Molecular formula
- C18H16O5
- Average molar mass
- 312.3 g/mol
Overview
(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.
Names & identifiers
- Preferred 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
- English name
- (6S)-6,7,8,9-Tetrahydro-6-hydroxy-6-hydroxymethyl-1-methylphenanthro[1,2-b]furan-10,11-dione
- Molecular formula
- C18H16O5
- Molecular weight
- 312.32
Names & synonyms
(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
Show more names
(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)-
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 532
Physicochemical properties
- Boiling point
- 598.914 · 598.914±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.426 · 1.426±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- powder
- pka
- 13.465 · 13.465±0.20(predicted)
- color
- Red
- FDA UNII
- 0 UYM2CKH · SD0UYM2CKH
Chemistry & industry
Applications
UsesTanshindiol A is a natural product[1].
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Compound notes
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