Acrofolione B

cas: 820975-62-0 — see every product listed under this CAS number, including other names

Acrofolione B (CAS 820975-62-0) is a chemical reagent available from Chemat. Available pack sizes: 5mg, Get quote. Offered by: GLPBio, MedChemExpress.

brandGLPBio
catalog numberGF17058-5mg
cas820975-62-0
size5mg
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GLPBio 5mg 4360.16 Pln
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Structural formula: {0} (CAS {1})

1-[5-[1-[3-acetyl-2,6-dihydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-3-methylbutyl]-4,6-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-7-yl]ethanone (CAS 820975-62-0) is a chemical compound with the molecular formula C32H42O9 and a molecular weight of 570.7 g/mol. IUPAC name: 1-[5-[1-[3-acetyl-2,6-dihydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-3-methylbutyl]-4,6-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-7-yl]ethanone. InChIKey: BAXWGCKHMROHKQ-UHFFFAOYSA-N.

Identity
Molecular formulaC32H42O9
Molecular weight570.7 g/mol
IUPAC name1-[5-[1-[3-acetyl-2,6-dihydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-3-methylbutyl]-4,6-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-7-yl]ethanone
InChIKeyBAXWGCKHMROHKQ-UHFFFAOYSA-N
SMILESCC(C)CC(C1=C(C(=C2C(=C1O)CC(O2)C(C)(C)O)C(=O)C)O)C3=C(C(=C(C(=C3O)CC=C(C)C)OC)C(=O)C)O

Computed by PubChem (NCBI)

Synonyms: Acrofolione B, orb1992426
Isomers (same molecular formula)
1-[3-[1-[3-acetyl-2,6-dihydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-3-methylbutyl]-2,4,6-trihydroxy-5-(2-hydroxy-3-methylbut-3-enyl)phenyl]ethanone C32H42O9
(6R)-6-[(5R,10S,12S,13R,14R,17R)-12-acetyloxy-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid C32H42O9
4-[1,1-bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]ethyl]-2,6-bis(methoxymethyl)phenol C32H42O9
(Z,2R)-6-[(5R,7S,10S,12S,13R,14R,17R)-12-acetyloxy-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxohept-5-enoic acid C32H42O9
1-[7-[1-[3-acetyl-2,6-dihydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-3-methylbutyl]-4,6-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone C32H42O9
[(1R,2R,4S,5S,6S,10R,11S,12R,15R,16R,18S,19S)-16,18-diacetyloxy-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-8-en-4-yl] acetate C32H42O9

Also listed as

Acrofolione B MedChemExpress CAS 820975-62-0