3,3′-[(3S,4R,5R,5aS,6R,7S,9S,9aS,10R)-6,7-Bis(acetyloxy)-5a-[(acetyloxy)methyl]-9,10-dihydroxy-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-4,5-diyl] di-3-furancarboxylate, ≥98%

cas: 1000784-45-1 — see every product listed under this CAS number, including other names

3,3′-[(3S,4R,5R,5aS,6R,7S,9S,9aS,10R)-6,7-Bis(acetyloxy)-5a-[(acetyloxy)methyl]-9,10-dihydroxy-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-4,5-diyl] di-3-furancarboxylate, ≥98% (CAS 1000784-45-1) is a chemical reagent available from Chemat. Available pack sizes: 5mg. Offered by: Chemat.

brandChemat
catalog numberCh138ILK-5mg
cas1000784-45-1
size5mg
availability 0.005g
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Available pack sizes

brand size price
Chemat 5mg 3760.40 Pln

properties

purity≥98%
delivery time3 weeks
Structural formula: {0} (CAS {1})

[(1S,2S,4S,5R,6S,7R,8R,9S,12R)-4,5-diacetyloxy-6-(acetyloxymethyl)-7-(furan-3-carbonyloxy)-2,12-dihydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl] furan-3-carboxylate (CAS 1000784-45-1) is a chemical compound with the molecular formula C31H36O15 and a molecular weight of 648.6 g/mol. IUPAC name: [(1S,2S,4S,5R,6S,7R,8R,9S,12R)-4,5-diacetyloxy-6-(acetyloxymethyl)-7-(furan-3-carbonyloxy)-2,12-dihydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl] furan-3-carboxylate. InChIKey: HUEZXBAPUURQLA-RYJKTBFTSA-N.

Identity
Molecular formulaC31H36O15
Molecular weight648.6 g/mol
IUPAC name[(1S,2S,4S,5R,6S,7R,8R,9S,12R)-4,5-diacetyloxy-6-(acetyloxymethyl)-7-(furan-3-carbonyloxy)-2,12-dihydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl] furan-3-carboxylate
InChIKeyHUEZXBAPUURQLA-RYJKTBFTSA-N
SMILESCC(=O)OC[C@@]12[C@H]([C@H](C[C@]([C@@]13[C@@H]([C@@H]([C@H]([C@@H]2OC(=O)C4=COC=C4)OC(=O)C5=COC=C5)C(O3)(C)C)O)(C)O)OC(=O)C)OC(=O)C

Computed by PubChem (NCBI)

Synonyms: Celangulatin D

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