CHEBI:110196 - 4-[(1R,2R,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-buten-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-[(1R,2R,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-buten-2-one
ChEBI ID CHEBI:110196
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C18H30O2
Net Charge 0
Average Mass 278.430
Monoisotopic Mass 278.22458
InChI InChI=1S/C18H30O2/c1-13(19)7-8-15-17(4)11-6-10-16(2,3)14(17)9-12-18(15,5)20/h7-8,14-15,20H,6,9-12H2,1-5H3/t14?,15-,17+,18-/m1/s1
InChIKey SNUHZNCSBAQVJV-GLXGZUSZSA-N
SMILES CC(=O)C=C[C@@H]1[C@]2(CCCC(C2CC[C@@]1(C)O)(C)C)C
ChEBI Ontology
Outgoing 4-[(1R,2R,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-buten-2-one (CHEBI:110196) is a sesquiterpenoid (CHEBI:26658)
Manual Xref Database
LSM-21645 LINCS
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