Products 83348-22-5

CAS 83348-22-5 appears in our catalog under these names: 10-Caffeoyldeacetyldaphylloside, 10-O-Caffeoyl deacetyldaphylloside. Offered by: Biosynth, MedChemExpress. Available pack sizes: 10mg, 5mg, 25mg, 50mg, 5 mg, 1 mg.

10-Caffeoyldeacetyldaphylloside
Biosynth
  • size: 10mg, 5mg, 25mg, 50mg
  • Variants: 4
View product
10-O-Caffeoyl deacetyldaphylloside
MedChemExpress
  • size: 5 mg, 1 mg
  • Variants: 2
from 1810.42
View product
Structural formula: {0} (CAS {1})

Methyl (1S,4aS,5S,7aS)-7-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate (CAS 83348-22-5) is a chemical compound with the molecular formula C26H30O14 and a molecular weight of 566.5 g/mol. IUPAC name: methyl (1S,4aS,5S,7aS)-7-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate. InChIKey: LLNDGETZUXLFQJ-KVBPGSMASA-N.

Identity
Molecular formulaC26H30O14
Molecular weight566.5 g/mol
IUPAC namemethyl (1S,4aS,5S,7aS)-7-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
InChIKeyLLNDGETZUXLFQJ-KVBPGSMASA-N
SMILESCOC(=O)C1=CO[C@H]([C@H]2[C@@H]1[C@H](C=C2COC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

Computed by PubChem (NCBI)

Synonyms: 10-O-Caffeoyl-6-epiferetoside
Isomers (same molecular formula)
(4S,5Z,6S)-5-[2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyethylidene]-4-(2-methoxy-2-oxoethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid C26H30O14
6-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-8-methoxy-2-methylbenzo[g]chromen-4-one C26H30O14
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[2-[3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1-benzofuran-6-yl]oxy]oxane-3,4,5-triol C26H30O14
(2S)-7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one C26H30O14
10-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-8-methoxy-2-methylbenzo[h]chromen-4-one C26H30O14
[(3S,4R,5R)-3,4-dihydroxy-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-methyl-4-oxopyran-3-yl)oxyoxan-2-yl]methoxy]oxolan-3-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate C26H30O14