Bruceantarin

cas: 41451-76-7 — see every product listed under this CAS number, including other names

Bruceantarin (CAS 41451-76-7) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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catalog numberHY-N10591-Get quote
cas41451-76-7
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Structural formula: {0} (CAS {1})

Methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-benzoyloxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate (CAS 41451-76-7) is a chemical compound with the molecular formula C28H30O11 and a molecular weight of 542.5 g/mol. IUPAC name: methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-benzoyloxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate. InChIKey: TUKVWIYSWDDKKX-QQHLYMAWSA-N.

Identity
Molecular formulaC28H30O11
Molecular weight542.5 g/mol
IUPAC namemethyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-benzoyloxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
InChIKeyTUKVWIYSWDDKKX-QQHLYMAWSA-N
SMILESCC1=C(C(=O)C[C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@H]4[C@H](C(=O)O3)OC(=O)C6=CC=CC=C6)(OC5)C(=O)OC)O)O)C)O

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