Products 5956-04-7

CAS 5956-04-7 is the registry number for Achillin. Offered by: Chemat Brand. Available pack sizes: on request.

Achillin
Chemat Brand
  • size: on request
  • Variants: 1
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Structural formula: {0} (CAS {1})

Achillin is a sesquiterpene lactone that is (3R,3aS,9aS,9bS)-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione carrying three additional methyl substituents at positions 3, 6 and 9. It has a role as a nitric oxide synthase activator and a plant metabolite. It is a sesquiterpene lactone and an azulenofuran.

Source: ChEBI

Identity
Molecular formulaC15H18O3
Molecular weight246.30 g/mol
IUPAC name(3R,3aS,9aS,9bS)-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
InChIKeyBJPSSVHNEGMBDQ-OAACRXHESA-N
SMILESC[C@@H]1[C@@H]2CCC(=C3[C@@H]([C@H]2OC1=O)C(=CC3=O)C)C

Computed by PubChem (NCBI)

Synonyms: ACHILLIN, MEGxp0_001628, orb1987201
Isomers (same molecular formula)
ethyl (2E)-2-[(2,6-dimethylphenyl)methylidene]-3-oxobutanoate C15H18O3
6-methoxyspiro[1a,7b-dihydrooxireno[2,3-c]chromene-2,1'-cyclohexane] C15H18O3
3-(2-oxo-1-phenylcyclohexyl)propanoic acid C15H18O3
(2R)-7-hydroxy-3'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one C15H18O3
7-hydroxy-4'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one C15H18O3
(3aR,7S,8aS)-7-methyl-3-methylidene-6-[(E)-3-oxobut-1-enyl]-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one C15H18O3
2-(4-methylbenzoyl)cyclohexane-1-carboxylic acid C15H18O3
3-ethoxy-4-prop-2-enoxy-5-prop-2-enylbenzaldehyde C15H18O3
5-(4-propan-2-yloxyphenyl)cyclohexane-1,3-dione C15H18O3
methyl 2,2-dimethylspiro[3H-chromene-4,1'-cyclopropane]-6-carboxylate C15H18O3
(1R,3S,6S,10S,11R)-3,12-dimethyl-7-methylidene-2,9-dioxatetracyclo[9.3.0.01,3.06,10]tetradec-12-en-8-one C15H18O3
trans-benzyl (1S,3S)-3-methyl-5-oxocyclohexane-1-carboxylate C15H18O3