Bruceantinol A

cas: 948038-36-6 — see every product listed under this CAS number, including other names

Bruceantinol A (CAS 948038-36-6) is a chemical reagent available from Chemat. Available pack sizes: 25mg, 50mg, Get quote. Offered by: Biosynth, MedChemExpress.

brandBiosynth
catalog numberYMB03836-25mg
cas948038-36-6
size25mg
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properties

categoryNatural Products
purityNo data
delivery time3-4 Weeks
Structural formula: {0} (CAS {1})

(1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-[(E)-4-acetyloxy-3,4-dimethylpent-2-enoyl]oxy-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-carboxylic acid (CAS 948038-36-6) is a chemical compound with the molecular formula C29H36O13 and a molecular weight of 592.6 g/mol. IUPAC name: (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-[(E)-4-acetyloxy-3,4-dimethylpent-2-enoyl]oxy-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-carboxylic acid. InChIKey: HPJCIKYCFBCHLF-IVOVFOCPSA-N.

Identity
Molecular formulaC29H36O13
Molecular weight592.6 g/mol
IUPAC name(1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-[(E)-4-acetyloxy-3,4-dimethylpent-2-enoyl]oxy-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-carboxylic acid
InChIKeyHPJCIKYCFBCHLF-IVOVFOCPSA-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)/C=C(\C)/C(C)(C)OC(=O)C)(OC5)C(=O)O)O)O)C)O

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