Products 63306-30-9

CAS 63306-30-9 appears in our catalog under these names: Bruceoside A/ 100%, Bruceoside A, Bruceoside A, 99.27%. Offered by: TargetMol, Biosynth, MedChemExpress, Chemat. Available pack sizes: 1mg, 5mg, 10mg, 25mg, 50mg, 100mg, 10 mg, 5 mg.

Bruceoside A/ 100%
TargetMol
  • size: 1mg, 5mg, 10mg, 25mg
  • Variants: 5
from 1076.51
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Bruceoside A
Biosynth, Chemat
  • size: 50mg, 25mg, 100mg, 1mg
  • Variants: 8
from 966.80
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Bruceoside A, 99.27%
MedChemExpress
  • size: 10 mg, 5 mg
  • Variants: 2
from 2516.30
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Structural formula: {0} (CAS {1})

Bruceoside A is a triterpenoid saponin.

Source: ChEBI

Identity
Molecular formulaC32H42O16
Molecular weight682.7 g/mol
IUPAC namemethyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17S)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate
InChIKeyAKSGLPBROCFVSE-TUHDNREHSA-N
SMILESC[C@H]1[C@@H]2C[C@@H]3[C@@]45CO[C@@]([C@@H]4[C@H](C(=O)O3)OC(=O)C=C(C)C)([C@H]([C@@H]([C@@H]5[C@]2(C=C(C1=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O)O)C(=O)OC

Computed by PubChem (NCBI)

Synonyms: Bruceoside A, Bruceoside-A, bruceosideA, orb1683040, AKSGLPBROCFVSE-TUHDNREHSA-N
Isomers (same molecular formula)
(2S,3R,4S,5S,6R)-2-[4-[(3S,3aR,6S,6aR)-6-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol C32H42O16
(3R,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]methyl]oxolan-2-one C32H42O16
(3R,4R)-3,4-bis[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one C32H42O16
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-[(2S,3R)-3-(hydroxymethyl)-7-methoxy-2-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoxy]oxane-3,4,5-triol C32H42O16