Products 952485-00-6

CAS 952485-00-6 is the registry number for Hydrangenoside A dimethyl acetal, 96.0%. Offered by: Chemat. Available pack sizes: 5mg.

Hydrangenoside A dimethyl acetal, 96.0%
Chemat
  • size: 5mg
  • Variants: 1
from 4744.40
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Structural formula: {0} (CAS {1})

Methyl (2S,3R,4S)-3-ethenyl-4-[[(2S,6S)-6-[4-(4-hydroxyphenyl)-2-oxobutyl]-4,4-dimethoxyoxan-2-yl]methyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate (CAS 952485-00-6) is a chemical compound with the molecular formula C33H46O14 and a molecular weight of 666.7 g/mol. IUPAC name: methyl (2S,3R,4S)-3-ethenyl-4-[[(2S,6S)-6-[4-(4-hydroxyphenyl)-2-oxobutyl]-4,4-dimethoxyoxan-2-yl]methyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate. InChIKey: XFPYZGYIBWUCDZ-ZKEMUXHQSA-N.

Identity
Molecular formulaC33H46O14
Molecular weight666.7 g/mol
IUPAC namemethyl (2S,3R,4S)-3-ethenyl-4-[[(2S,6S)-6-[4-(4-hydroxyphenyl)-2-oxobutyl]-4,4-dimethoxyoxan-2-yl]methyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
InChIKeyXFPYZGYIBWUCDZ-ZKEMUXHQSA-N
SMILESCOC(=O)C1=CO[C@H]([C@@H]([C@@H]1C[C@H]2CC(C[C@@H](O2)CC(=O)CCC3=CC=C(C=C3)O)(OC)OC)C=C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

Computed by PubChem (NCBI)

Synonyms: Hydrangenoside A dimethyl acetal, orb1682404