4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, (5-(phenylmethyl)-3-furanyl)methyl ester, (3aalpha,4alpha,7alpha,7aalpha)-
Basic information
- CAS
109430-43-5- Standard SMILES
O=C(OCc1coc(Cc2ccccc2)c1)[C@@]12CCC[C@@H]1[C@@H]1CC[C@H]2C1- InChIKey
YMNSHWAPVHSSOA-MHXAIHSWSA-N- Molecular formula
- C23H26O3
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.18819469
Names & identifiers
- Preferred name
- 4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, (5-(phenylmethyl)-3-furanyl)methyl ester, (3aalpha,4alpha,7alpha,7aalpha)-
- IUPAC
- (5-benzylfuran-3-yl)methyl (1S,2R,6R,7R)-tricyclo[5.2.1.02,6]decane-2-carboxylate
Names & synonyms
4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, (5-(phenylmethyl)-3-furanyl)methyl ester, (3aalpha,4alpha,7alpha,7aalpha)-93107-46-1109430-43-5DTXSID80911160(5-Benzylfuran-3-yl)methyl octahydro-3aH-4,7-methanoindene-3a-carboxylate(5-Benzylfuran-3-yl)methyl (3aR,4S,7R,7aR)-octahydro-3aH-4,7-methanoindene-3a-carboxylate
Database identifiers
- CAS
109430-43-5、93107-46-1- PubChem CID
- 184075
- DTXSID
DTXSID80911160
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 526
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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