Bruceantinol B

cas: 1822332-33-1 — see every product listed under this CAS number, including other names

Bruceantinol B (CAS 1822332-33-1) is a chemical reagent available from Chemat. Available pack sizes: 25mg, 10mg, 50mg, Get quote. Offered by: Biosynth, MedChemExpress.

brandBiosynth
catalog numberXXC33233-25mg
cas1822332-33-1
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)-10,15,16-trihydroxy-3-[(E)-4-hydroxy-3,4-dimethylpent-2-enoyl]oxy-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 1822332-33-1) is a chemical compound with the molecular formula C27H34O12 and a molecular weight of 550.6 g/mol. IUPAC name: (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-10,15,16-trihydroxy-3-[(E)-4-hydroxy-3,4-dimethylpent-2-enoyl]oxy-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: VMAQZPRBCBVUAH-KXWDFAGZSA-N.

Identity
Molecular formulaC27H34O12
Molecular weight550.6 g/mol
IUPAC name(1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-10,15,16-trihydroxy-3-[(E)-4-hydroxy-3,4-dimethylpent-2-enoyl]oxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylic acid
InChIKeyVMAQZPRBCBVUAH-KXWDFAGZSA-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)O)(OC5)C(=O)O)O)O)C)O

Computed by PubChem (NCBI)

Synonyms: orb1680116