5-[(4r)-4-(3,4,5-Trimethoxyphenyl)tetrahydro-1h,3h-furo[3,4-c]furan-1-yl]-1,3-benzodioxole
Basic information
- CAS
41689-50-3- Standard SMILES
COc1cc([C@@H]2OCC3C(c4ccc5c(c4)OCO5)OCC32)cc(OC)c1OC- InChIKey
ONDWGDNAFRAXCN-HMRZPLOASA-N- Molecular formula
- C22H24O7
- Average molar mass
- 400.4 g/mol
- Monoisotopic mass
- 400.1522031
Overview
Epiaschantin has been reported in Hernandia sonora, Hernandia guianensis, and other organisms with data available.
Names & identifiers
- Preferred name
- 5-[(4r)-4-(3,4,5-Trimethoxyphenyl)tetrahydro-1h,3h-furo[3,4-c]furan-1-yl]-1,3-benzodioxole
- IUPAC
- 5-[(6R)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-1,3-benzodioxole
- English name
- (+)-Epiaschantin
- Molecular formula
- C22H24O7
- Molecular weight
- 400.42
Names & synonyms
Epiaschantin41689-50-3NSC6533845-[(4r)-4-(3,4,5-trimethoxyphenyl)tetrahydro-1h,3h-furo[3,4-c]furan-1-yl]-1,3-benzodioxole5-[(6R)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-1,3-benzodioxole(+)-epiaschantinDTXSID20961902MFCD31746815NSC-653384NCI60_0186355-[(4R)-4-(3,4,5-Trimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2H-1,3-benzodioxole5-[4-(3,4,5-Trimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2H-1,3-benzodioxole
Show more names
epi-Aschantin5-[(3aβ,6aβ)-Tetrahydro-4α-(3,4,5-trimethoxyphenyl)-1H,3H-furo[3,4-c]furan-1β-yl]-1,3-benzodioxole1,3-Benzodioxole, 5-[(1S,3aR,4R,6aR)-tetrahydro-4-(3,4,5-trimethoxyphenyl)-1H,3H-furo[3,4-c]furan-1-yl]-(3S)-3α-(1,3-Benzodioxole-5-yl)-6β-(3,4,5-trimethoxyphenyl)-3aα,4,6,6aα-tetrahydro-1H,3H-furo[3,4-c]furan(3aR)-1β-(1,3-Benzodioxole-5-yl)-4α-(3,4,5-trimethoxyphenyl)-3aβ,4,6,6aβ-tetrahydro-1H,3H-furo[3,4-c]furan
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 545
Physicochemical properties
- Melting point
- 120 · 120-122 °C
- Boiling point
- 525.8 · 525.8±50.0 °C(Predicted)
- Density
- 1.264 · 1.264±0.06 g/cm3(Predicted)
Chemistry & industry
Applications
UsesEpiaschantin is an anticancer agent. Epiaschantin shows antiproliferative activity[1].
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Related reactions
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Compound notes
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