Basic information
- CAS
68296-27-5- Standard SMILES
COc1ccc([C@H]2OC[C@@H]3[C@H]2CO[C@H]3c2ccc3c(c2)OCO3)cc1OC- InChIKey
AWOGQCSIVCQXBT-LYDRAKHJSA-N- Molecular formula
- C21H22O6
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.14163842
Overview
Fargesin is a lignan.
Names & identifiers
- Preferred name
- Planinin
- IUPAC
- 5-[(3R,3aS,6S,6aS)-6-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-1,3-benzodioxole
- English name
- planinin
- Molecular formula
- C21H22O6
- Molecular weight
- 370.4
Names & synonyms
Planinin5-[(3R,3aS,6S,6aS)-6-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-1,3-benzodioxole2-(3',4'-Dimethoxyphenyl)-6-(3'',4''-methylenedioxyphenyl)-3,7-dioxabicyclo(3,3,0)octane5-((3R,3aS,6S,6aS)-6-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro(3,4-c)furan-3-yl)-1,3-benzodioxoleRefChem:17472868296-27-5Fargesin (Standard)SCHEMBL31046742CHEBI:80822HY-N0719RDTXSID50987817HY-N0719
Show more names
(+)-FargesinFargesin/(+)-Fargesin1,3-Benzodioxole, 5-[(1S,3aR,4R,6aR)-4-(3,4-dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-5-[(3S,3aR,6R,6aR)-6-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-1,3-benzodioxole
AC-34865CS-0009736C16957F979948Q271498655-[4-(3,4-Dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2H-1,3-benzodioxole1,3-Benzodioxole, 5-(4-(3,4-dimethoxyphenyl)tetrahydro-1H,3H-furo(3,4-c)furan-1-yl)-, (1S-(1alpha,3aalpha,4beta,6aalpha))-5-[(1R,3aS,4S,6aS)-4-(3,4-Dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2H-1,3-benzodioxole
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 515
Physicochemical properties
- Boiling point
- 506.4 · 506.4±50.0 °C(Predicted)
- Density
- 1.265 · 1.265±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers9 total
云南西力生物技术股份有限公司0871-65217109 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
成都草源康生物科技有限公司13438898246 13438898246 · [email protected]
上海博湖生物科技有限公司021-57763112 13585886131 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
北京谱析科技有限公司400-808-7372 13161114455 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Additional notes
DefinitionChEBI: Fargesin is a lignan.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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