4a-Hydroxy-3,5-dimethylidene-2-oxodecahydro-2h-spiro[azuleno[6,5-b]furan-8,2'-oxiran]-6-yl acetate
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Basic information
- CAS
64390-62-1- Standard SMILES
C=C1C(=O)OC2CC3(CO3)C3CC(OC(C)=O)C(=C)C3(O)CC12- InChIKey
XRCCPOSHMKZPFI-UHFFFAOYSA-N- Molecular formula
- C17H20O6
- Average molar mass
- 320.3 g/mol
- Monoisotopic mass
- 320.12598835
Names & identifiers
- Preferred name
- 4a-Hydroxy-3,5-dimethylidene-2-oxodecahydro-2h-spiro[azuleno[6,5-b]furan-8,2'-oxiran]-6-yl acetate
- IUPAC
- (8a-hydroxy-1,8-dimethylidene-2-oxospiro[4,5a,6,7,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-5,2'-oxirane]-7-yl) acetate
Names & synonyms
Arctolide64390-62-1Spiro[azuleno[6,5-b]furan-8(2H),2'-oxiran]-2-one, 6-(acetyloxy)decahydro-4a-hydroxy-3,5-bis(methylene)-, (2'R,3aR,4aS,6S,7aR,9aS)-NSC 3069534a-hydroxy-3,5-dimethylidene-2-oxodecahydro-2h-spiro[azuleno[6,5-b]furan-8,2'-oxiran]-6-yl acetateDTXSID60982939NSC306953NSC-306953Spiro(azu)eno(6,5-b)furan-8(2H),2'-oxiran)-2-one, 6-(acetyloxy)decahydro-4a-hydroxy-3,5-bis(methylene)-, (3aR-(3aalpha,4aalpha,6beta.7aalpha,8alpha,9abeta))-
Database identifiers
- CAS
64390-62-1- PubChem CID
- 100009
- DTXSID
DTXSID60982939- ChEMBL
CHEMBL523620
Properties
Computed structural propertiesFilling in
- XLogP
- 0.2
- Topological polar surface area
- 85.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 639
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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