(3aR,4R,9R,9aR)-4,6,7-trihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one

Names

[ CAS No. ]:
138456-90-3

[ Name ]:
(3aR,4R,9R,9aR)-4,6,7-trihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one

[Synonym ]:
6,7-O,O-demethylene-4'-O-demethylpodophyllotoxin
Naphtho(2,3-c)furan-1(3H)-one,3a,4,9,9a-tetrahydro-4,6,7-trihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-,(3aR,4R,9R,9aR)
(3ar,4r,9r,9ar)-4,6,7-trihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-3a,4,9,9a-tetrahydronaphtho[2,3-c]furan-1(3h)-one
3',4'-demethylene-4-demethylpodophyllotoxin

Chemical & Physical Properties

[ Density]:
1.479g/cm3

[ Boiling Point ]:
687.9ºC at 760mmHg

[ Molecular Formula ]:
C20H20O8

[ Molecular Weight ]:
388.36800

[ Flash Point ]:
248.5ºC

[ Exact Mass ]:
388.11600

[ PSA ]:
125.68000

[ LogP ]:
1.78870

[ Vapour Pressure ]:
7.24E-20mmHg at 25°C

[ Index of Refraction ]:
1.661

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Podophyllotoxin

DownStream

  • (3aS,4S,9R,9aR)-4-(4-fluoroanilino)-6,7-dihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one

Related Compounds

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 5-[1-(Piperidin-4-yl)ethyl]thiophene-2-carbonitrile
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide