Wasabidienone E acetate
Basic information
- Standard SMILES
CC[C@@H](C)C(=O)O[C@@]1(C)C(=O)C(C)=C(OC)C=C1NCCOC(C)=O- InChIKey
RYGUAVIWYDWURX-ADLMAVQZSA-N- Molecular formula
- C18H27NO6
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.18383758
Names & identifiers
- Preferred name
- Wasabidienone E acetate
- IUPAC
- [(1R)-2-(2-acetyloxyethylamino)-4-methoxy-1,5-dimethyl-6-oxocyclohexa-2,4-dien-1-yl] (2R)-2-methylbutanoate
Names & synonyms
Wasabidienone E acetateDTXSID0013606675-(2-ACETOXYETHYLAMINO)-3-METHOXY-2,6-DIMETHYL-(6R*)-((2R*)-2-METHYLBUTYRYLOXY)-2,4-CYCLOHEXADIEN-1-ONEQ63399464
Database identifiers
- PubChem CID
- 101320232
- DTXSID
DTXSID001360667- Nikkaji
- J184.287K
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 607
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Related reactions
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Compound notes
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