Brucein B

cas: 25514-29-8 — see every product listed under this CAS number, including other names

Brucein B (CAS 25514-29-8) is a chemical reagent available from Chemat. Available pack sizes: 50mg, 25mg, 100mg. Offered by: Biosynth.

brandBiosynth
catalog numberABA51429-50mg
cas25514-29-8
size50mg
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Available pack sizes

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Biosynth 25mg price on request
Biosynth 100mg price on request

properties

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

Bruceine B is a triterpenoid.

Source: ChEBI

Identity
Molecular formulaC23H28O11
Molecular weight480.5 g/mol
IUPAC namemethyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-acetyloxy-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
InChIKeyYDWODLQEUPYKGJ-LZFWDZGBSA-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)(OC5)C(=O)OC)O)O)C)O

Computed by PubChem (NCBI)

Synonyms: Bruceine B, BRUCEIN B, orb1220748, orb3027291
Isomers (same molecular formula)
[(1R,2S,3R,5R,6R,8S)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate C23H28O11
[(1R,3R,4R,6S,9S)-4-hydroxy-6-methyl-8-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxatricyclo[4.3.0.03,9]nonan-9-yl]methyl benzoate C23H28O11
[(3R,4S,5R,6S)-4,5-diacetyloxy-6-[[(1R,2R,5R,6R)-2-phenylmethoxy-3,7-dioxabicyclo[4.1.0]heptan-5-yl]oxy]oxan-3-yl] acetate C23H28O11
2-[[4-hydroxy-3-(2-hydroxy-3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol C23H28O11
methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(2-methoxy-4-prop-2-enylphenoxy)oxane-2-carboxylate C23H28O11

Also listed as

Bruceine B GLPBio CAS 25514-29-8
Bruceine B, 99.60% MedChemExpress CAS 25514-29-8
bruceine B, 98.0% Chemat CAS 25514-29-8