Secondary metabolite:3-Hydroxy-1a,3,6,6-tetramethylhexahydro-2-oxacyclopropa[d]naphthalen-5-one



EOCID002951
Summary

sCentInDB Chemical identifier: EOCID002951

Chemical name: 3-Hydroxy-1a,3,6,6-tetramethylhexahydro-2-oxacyclopropa[d]naphthalen-5-one

Molecular formula: C14H22O3

SMILES: O=C1C2CC(C)(O)OC3(C2(CCC1(C)C)C3)C

InChI: InChI=1S/C14H22O3/c1-11(2)5-6-14-8-12(14,3)17-13(4,16)7-9(14)10(11)15/h9,16H,5-8H2,1-4H3

InChIKey: WIXKMBYZWQMYGA-UHFFFAOYSA-N

Chemical classification

Kingdom: Organic compounds

Superclass: Organoheterocyclic compounds

Class: Oxepanes

Subclass:

Synonymous chemical name(s):
3-hydroxy-1a,3,6,6-tetramethylhexahydro-2- oxacyclopropa[d]naphthalen-5-one

External chemical identifier(s):
CID:540202, CHEMSPIDER:470405

Spectrabase ID: JOKs7AxggNA

Chemical structure download

2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT
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