Celangulatin C

cas: 1000784-44-0 — see every product listed under this CAS number, including other names

Celangulatin C (CAS 1000784-44-0) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas1000784-44-0
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Structural formula: {0} (CAS {1})

[(1S,2S,4S,5R,6S,7S,8S,9S)-4,5,8-triacetyloxy-2,12-dihydroxy-2,10,10-trimethyl-6-(2-methylpropanoyloxymethyl)-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate (CAS 1000784-44-0) is a chemical compound with the molecular formula C32H42O13 and a molecular weight of 634.7 g/mol. IUPAC name: [(1S,2S,4S,5R,6S,7S,8S,9S)-4,5,8-triacetyloxy-2,12-dihydroxy-2,10,10-trimethyl-6-(2-methylpropanoyloxymethyl)-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate. InChIKey: QCSQJHAIHSGQLC-DHDOOOSMSA-N.

Identity
Molecular formulaC32H42O13
Molecular weight634.7 g/mol
IUPAC name[(1S,2S,4S,5R,6S,7S,8S,9S)-4,5,8-triacetyloxy-2,12-dihydroxy-2,10,10-trimethyl-6-(2-methylpropanoyloxymethyl)-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
InChIKeyQCSQJHAIHSGQLC-DHDOOOSMSA-N
SMILESCC(C)C(=O)OC[C@@]12[C@H]([C@H](C[C@]([C@@]13C([C@@H]([C@@H]([C@H]2OC(=O)C4=CC=CC=C4)OC(=O)C)C(O3)(C)C)O)(C)O)OC(=O)C)OC(=O)C

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