CHEBI:181625 - (4aR,5S,6S,8R,8aS)-6-hydroxy-3,8-dimethyl-5-propan-2-yl-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (4aR,5S,6S,8R,8aS)-6-hydroxy-3,8-dimethyl-5-propan-2-yl-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one
ChEBI ID CHEBI:181625
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H24O2
Net Charge 0
Average Mass 236.355
Monoisotopic Mass 236.17763
InChI InChI=1S/C15H24O2/c1-8(2)15-12-5-10(4)13(16)7-11(12)9(3)6-14(15)17/h5,8-9,11-12,14-15,17H,6-7H2,1-4H3/t9-,11+,12+,14+,15+/m1/s1
InChIKey KLDSZMWMGCWFKH-GIEZYDSUSA-N
SMILES O[C@@H]1[C@H]([C@@]2([C@]([C@@H](C1)C)(CC(=O)C(=C2)C)[H])[H])C(C)C
ChEBI Ontology
Outgoing (4aR,5S,6S,8R,8aS)-6-hydroxy-3,8-dimethyl-5-propan-2-yl-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one (CHEBI:181625) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
(4aR,5S,6S,8R,8aS)-6-hydroxy-3,8-dimethyl-5-propan-2-yl-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one
Manual Xref Database
22914000 ChemSpider
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