Precalyone
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Basic information
- CAS
71641-11-7- Standard SMILES
CC(=O)OC1CCC2(C)C(CC(=O)C(C)C23CCC2(C=COC2)O3)C1(C)C- InChIKey
RWQAIOGLVLEWEL-UHFFFAOYSA-N- Molecular formula
- C22H32O5
- Average molar mass
- 376.5 g/mol
- Monoisotopic mass
- 376.22497412
Names & identifiers
- Preferred name
- Precalyone
- IUPAC
- 2'',5'',5'',8''a-Tetramethyl-3''-oxo-3'',4'',4''a,5'',6'',7'',8'',8''a-octahydro-2H,2''H-dispiro[furan-3,2'-oxolane-5',1''-naphthalen]-6''-yl acetate
- English name
- 6''-Acetoxy-3',4',4''a,5'',6'',7'',8'',8''a-octahydro-2'',5'',5'',8''a-tetramethyldispiro[furan-3(2H),2'(5'H)-furan-5',1''(2''H)-naphthalen]-3''(4''H)-one
- Molecular formula
- C22H32O5
- Molecular weight
- 376.48648
Names & synonyms
NSC29185071641-11-7PRECALYONEDTXSID60315081NSC-2918502'',5'',5'',8''a-tetramethyl-3''-oxo-3'',4'',4''a,5'',6'',7'',8'',8''a-octahydro-2H,2''H-dispiro[furan-3,2'-oxolane-5',1''-naphthalen]-6''-yl acetate6''-Acetoxy-3',4',4''a,5'',6'',7'',8'',8''a-octahydro-2'',5'',5'',8''a-tetramethyldispiro[furan-3(2H),2'(5'H)-furan-5',1''(2''H)-naphthalen]-3''(4''H)-one
Database identifiers
- CAS
71641-11-7- PubChem CID
- 324879
- DTXSID
DTXSID60315081- Nikkaji
- J19.642H
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 697
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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