Products 25514-29-8

CAS 25514-29-8 appears in our catalog under these names: Bruceine B, Brucein B, Bruceine B, 99.60%. Offered by: GLPBio, Biosynth, MedChemExpress, Chemat. Available pack sizes: 1mg, 5mg, 50mg, 25mg, 100mg, 1 mg, 5 mg, 10 mg.

Bruceine B
GLPBio
  • size: 1mg, 5mg
  • Variants: 2
from 1046.37
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Brucein B
Biosynth
  • size: 50mg, 25mg, 100mg
  • Variants: 3
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Bruceine B, 99.60%
MedChemExpress, Chemat
  • size: 1 mg, 5 mg, 10 mg, 1mg
  • Variants: 5
from 839.82
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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