Basic information
- CAS
116187-56-5- Standard SMILES
CC(=O)OC[C@@]12[C@H](CCC[C@]13CO3)[C@@]1(C[C@@H](c3ccoc3)OC1=O)[C@H](C)C(=O)[C@@H]2OC(C)=O- InChIKey
OATKJIMDMRXKBR-ATQQKGJMSA-N- Molecular formula
- C24H28O9
- Average molar mass
- 460.5 g/mol
- Monoisotopic mass
- 460.17333247
Overview
6-Acetylpicropolin is a member of cyclohexanones.
Names & identifiers
- Preferred name
- 6-Acetylpicropolin
- IUPAC
- (1'R,3''S,4'aS,5''S,6'S,8'R,8'aR)-8'a-[(Acetyloxy)methyl]-5''-(furan-3-yl)-6'-methyl-2'',7'-dioxooctahydrodispiro[oxirane-2,1'-naphthalene-5',3''-oxolan]-8'-yl acetate
Names & synonyms
6-Acetylpicropolin116187-56-5C09055AC1L9C2QCHEBI:2169DTXSID10331711Q27105570(1'R,3''S,4'aS,5''S,6'S,8'R,8'aR)-8'a-[(Acetyloxy)methyl]-5''-(furan-3-yl)-6'-methyl-2'',7'-dioxooctahydrodispiro[oxirane-2,1'-naphthalene-5',3''-oxolan]-8'-yl acetate
Database identifiers
- CAS
116187-56-5- PubChem CID
- 441997
- DTXSID
DTXSID10331711- ChEBI
CHEBI:2169- Nikkaji
- J38.485B
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 885
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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