Basic information
- CAS
112156-46-4- Standard SMILES
C=CCC12C=C(OC)C(=O)C=C1OC(c1ccc3c(c1)OCO3)C2C- InChIKey
SOLJFAQVSWXZEQ-UHFFFAOYSA-N- Molecular formula
- C20H20O5
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.13107373
Overview
Burchellin has been reported in Magnoliaceae and Magnolia denudata with data available.
Names & identifiers
- Preferred name
- 6(2H)-Benzofuranone, 2-(1,3-benzodioxol-5-yl)-3,3a-dihydro-5-methoxy-3-methyl-3a-(2-propenyl)-, (2S-(2alpha,3beta,3abeta))-
- IUPAC
- 2-(1,3-benzodioxol-5-yl)-5-methoxy-3-methyl-3a-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one
Names & synonyms
NSC 370991155551-61-46(2H)-Benzofuranone, 2-(1,3-benzodioxol-5-yl)-3,3a-dihydro-5-methoxy-3-methyl-3a-(2-propenyl)-, (2S-(2alpha,3beta,3abeta))-cylohexadienone3| cent-EpiburchellinSCHEMBL29725291DTXSID20959203FGA55161HCA45799NBA27659NSC370991NSC-370991
Show more names
NS00067926G89109(3aS)-2-(1,3-Benzodioxol-5-yl)-5-methoxy-3-methyl-3a-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one[2R-(2alpha,3beta,3aalpha)]-2-(1,3-Benzodioxol-5-yl)-3,3a-dihydro-5-methoxy-3-methyl-3a-(2-propenyl)-6(2H)-benzofuranone2-(2H-1,3-Benzodioxol-5-yl)-5-methoxy-3-methyl-3a-(prop-2-en-1-yl)-3,3a-dihydro-1-benzofuran-6(2H)-one
Database identifiers
- CAS
112156-46-4、38276-59-4- PubChem CID
- 100199
- DTXSID
DTXSID20959203- Nikkaji
- J3.023.241K
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 636
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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