Cupresol
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Basic information
- CAS
54868-50-7- Standard SMILES
COc1cc2c(cc1C(C)C)C(=O)O[C@]1(O)C(C)(C)CCC[C@]21C- InChIKey
MCRAIDDVIKPKMP-WOJBJXKFSA-N- Molecular formula
- C20H28O4
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.19875937
Overview
Cupresol has been reported in Cryptomeria japonica and Prumnopitys ferruginea with data available.
Names & identifiers
- Preferred name
- Cupresol
- IUPAC
- (4aR,10bR)-4a-hydroxy-9-methoxy-4,4,10b-trimethyl-8-propan-2-yl-2,3-dihydro-1H-benzo[c]chromen-6-one
- English name
- cupresol
- Molecular formula
- C20H28O4
- Molecular weight
- 332.43
Names & synonyms
Cupresol5-Hydroxy-6-oxasugiol54868-50-7(4aR,10bR)-4a-hydroxy-9-methoxy-4,4,10b-trimethyl-8-propan-2-yl-2,3-dihydro-1H-benzo[c]chromen-6-one6H-Dibenzo(b,d)pyran-6-one, 1,2,3,4,4a,10b-hexahydro-4a-hydroxy-9-methoxy-4,4,10b-trimethyl-8-(1-methylethyl)-, (4aR-cis)-(4aR,10bR)-4a-hydroxy-9-methoxy-4,4,10b-trimethyl-8-propan-2-yl-2,3-dihydro-1H-benzo(c)chromen-6-oneRefChem:128812DTXSID30970202(4aR,10bR)-4a-Hydroxy-9-methoxy-4,4,10b-trimethyl-8-(propan-2-yl)-1,2,3,4,4a,10b-hexahydro-6H-dibenzo[b,d]pyran-6-one4a-Hydroxy-9-methoxy-4,4,10b-trimethyl-8-(propan-2-yl)-1,2,3,4,4a,10b-hexahydro-6H-dibenzo[b,d]pyran-6-one(4aR)-1,2,3,4,4a,10b-Hexahydro-4aα-hydroxy-9-methoxy-4,4,10bα-trimethyl-8-(1-methylethyl)-6H-dibenzo[b,d]pyran-6-one6H-Dibenzo[b,d]pyran-6-one, 1,2,3,4,4a,10b-hexahydro-4a-hydroxy-9-methoxy-4,4,10b-trimethyl-8-(1-methylethyl)-, (4aR,10bR)-
Database identifiers
- CAS
54868-50-7- PubChem CID
- 124198
- DTXSID
DTXSID30970202- Nikkaji
- J147.205D
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 514
Physicochemical properties
- LogP
- 5.752 · 5.752 (est)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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