Products 12777-70-7

CAS 12777-70-7 appears in our catalog under these names: Dryocrassin ABBA, Dryocrassin ABBA/ 98.92% (existing batch purity), Dryocrassin ABBA, 98.92% ,, 98.92% ,, Dryocrassin ABBA, 98.0%. Offered by: GLPBio, TargetMol, Chemat, MedChemExpress. Available pack sizes: 20mg, 5mg, 1mg, 25mg, 10mg, 5 mg, 1 mg.

Structural formula: {0} (CAS {1})

2-acetyl-4-[[3-[[3-[(5-acetyl-2,6-dihydroxy-3,3-dimethyl-4-oxocyclohexa-1,5-dien-1-yl)methyl]-5-butanoyl-2,4,6-trihydroxyphenyl]methyl]-5-butanoyl-2,4,6-trihydroxyphenyl]methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one (CAS 12777-70-7) is a chemical compound with the molecular formula C43H48O16 and a molecular weight of 820.8 g/mol. IUPAC name: 2-acetyl-4-[[3-[[3-[(5-acetyl-2,6-dihydroxy-3,3-dimethyl-4-oxocyclohexa-1,5-dien-1-yl)methyl]-5-butanoyl-2,4,6-trihydroxyphenyl]methyl]-5-butanoyl-2,4,6-trihydroxyphenyl]methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one. InChIKey: PRVKSKWNDSLRBY-UHFFFAOYSA-N.

Identity
Molecular formulaC43H48O16
Molecular weight820.8 g/mol
IUPAC name2-acetyl-4-[[3-[[3-[(5-acetyl-2,6-dihydroxy-3,3-dimethyl-4-oxocyclohexa-1,5-dien-1-yl)methyl]-5-butanoyl-2,4,6-trihydroxyphenyl]methyl]-5-butanoyl-2,4,6-trihydroxyphenyl]methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
InChIKeyPRVKSKWNDSLRBY-UHFFFAOYSA-N
SMILESCCCC(=O)C1=C(C(=C(C(=C1O)CC2=C(C(C(=O)C(=C2O)C(=O)C)(C)C)O)O)CC3=C(C(=C(C(=C3O)C(=O)CCC)O)CC4=C(C(C(=O)C(=C4O)C(=O)C)(C)C)O)O)O

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