Sonderianin
Basic information
- CAS
79405-82-6- Standard SMILES
COC(=O)C1=CCCC2C1(C)CCC(C)C21CC(c2ccoc2)OC1=O- InChIKey
PCYSFZDXGZBRMA-UHFFFAOYSA-N- Molecular formula
- C21H26O5
- Average molar mass
- 358.4 g/mol
- Monoisotopic mass
- 358.17802393
Overview
Methyl 5'-(furan-3-yl)-6,8a-dimethyl-2'-oxospiro[3,4,4a,6,7,8-hexahydronaphthalene-5,3'-oxolane]-1-carboxylate has been reported in Croton urucurana with data available.
Names & identifiers
- Preferred name
- Sonderianin
- IUPAC
- methyl 5'-(furan-3-yl)-6,8a-dimethyl-2'-oxospiro[3,4,4a,6,7,8-hexahydronaphthalene-5,3'-oxolane]-1-carboxylate
Names & synonyms
Sonderianin79405-82-6methyl 5'-(furan-3-yl)-6,8a-dimethyl-2'-oxospiro[3,4,4a,6,7,8-hexahydronaphthalene-5,3'-oxolane]-1-carboxylateNSC606843NSC 606843methyl 5'-(3-furyl)-6,8a-dimethyl-2'-oxo-spiro[3,4,4a,6,7,8-hexahydronaphthalene-5,3'-tetrahydrofuran]-1-carboxylateSpiro(furan-3(2H),1'(2'H)-naphthalene)-5'-carboxylic acid, 5-(3-furanyl)-3',4,4',4'a,5,7',8',8'a-octahydro-2',4'a-dimethyl-2-oxo-, methyl ester, (1'alpha(S*),2'alpha,4'aalpha,8'abeta)-(-)-Spiro[furan-3(2H),1'(2'H)-naphthalene]-5'-carboxylic acid, 5-(3-furanyl)-3',4,4',4'a,5,7',8',8'a-octahydro-2',4'a-dimethyl-2-oxo-, methyl ester
Database identifiers
- CAS
79405-82-6- PubChem CID
- 101202
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 65.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 640
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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