Products 464-71-1

CAS 464-71-1 is the registry number for Clerodin. Offered by: Biosynth. Available pack sizes: 10mg, 5mg, 25mg, 50mg.

Clerodin
Biosynth
  • size: 10mg, 5mg, 25mg, 50mg
  • Variants: 4
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Structural formula: {0} (CAS {1})

Clerodin is a diterpenoid isolated from Ajuga bracteosa. It has a role as a plant metabolite. It is a spiro-epoxide, a diterpenoid, an acetate ester, a furofuran and a cyclic acetal.

Source: ChEBI

Identity
Molecular formulaC24H34O7
Molecular weight434.5 g/mol
IUPAC name[(4R,4aR,5S,7R,8S,8aR)-8-[(3aS,5S,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-5-acetyloxy-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl acetate
InChIKeyCNIWQELMLPUFOS-NVSXQWMQSA-N
SMILESC[C@@H]1C[C@@H]([C@@]2([C@@H]([C@@]1(C)[C@@H]3C[C@H]4C=CO[C@H]4O3)CCC[C@]25CO5)COC(=O)C)OC(=O)C

Computed by PubChem (NCBI)

Synonyms: Clerodin, 3-Deoxycaryoptinol, orb3178117, Clerodin, >=90% (LC/MS-ELSD)
Isomers (same molecular formula)
(7-acetyloxy-9,15-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-10-yl) acetate C24H34O7
2-[(4bS,8aS,9S,10S)-10-ethoxy-1,9-dihydroxy-4b,8,8-trimethyl-3,4-dioxo-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]propyl acetate C24H34O7
[(1R,2R,4S,5R,9R,10S,11S,13R)-11-acetyloxy-2,13-dihydroxy-5,9-dimethyl-14-methylidene-15-oxo-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate C24H34O7