Products 114449-12-6

CAS 114449-12-6 appears in our catalog under these names: Sambacolignoside, Sambacolignoside, >=95% (LC/MS-ELSD). Offered by: Biosynth, Sigma-Aldrich. Available pack sizes: 5mg, 1mg, 10mg, 25mg, 50mg.

Sambacolignoside
Biosynth
  • size: 5mg, 1mg, 10mg, 25mg
  • Variants: 5
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Sambacolignoside, >=95% (LC/MS-ELSD)
Sigma-Aldrich
  • size: 1MG
  • Variants: 1
from 2250.00
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Structural formula: {0} (CAS {1})

Methyl (4R,5E,6R)-4-[2-[[(2S,3R,4R,5S,6R)-6-[[(3S,3aR,6R,6aS)-3,6-bis(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-2-oxoethyl]-5-ethylidene-6-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate (CAS 114449-12-6) is a chemical compound with the molecular formula C43H54O22 and a molecular weight of 922.9 g/mol. IUPAC name: methyl (4R,5E,6R)-4-[2-[[(2S,3R,4R,5S,6R)-6-[[(3S,3aR,6R,6aS)-3,6-bis(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-2-oxoethyl]-5-ethylidene-6-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate. InChIKey: URBPIXMUXQEKHZ-AHVCFWKNSA-N.

Identity
Molecular formulaC43H54O22
Molecular weight922.9 g/mol
IUPAC namemethyl (4R,5E,6R)-4-[2-[[(2S,3R,4R,5S,6R)-6-[[(3S,3aR,6R,6aS)-3,6-bis(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-2-oxoethyl]-5-ethylidene-6-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
InChIKeyURBPIXMUXQEKHZ-AHVCFWKNSA-N
SMILESC/C=C/1\[C@H](C(=CO[C@@H]1O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O)C(=O)OC)CC(=O)OC[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)O[C@@]45CO[C@H]([C@@H]4CO[C@H]5C6=CC(=C(C=C6)O)OC)C7=CC(=C(C=C7)O)OC)O)O)O

Computed by PubChem (NCBI)

Synonyms: Sambacolignoside