Products 53526-66-2

CAS 53526-66-2 appears in our catalog under these names: Durantoside II, Durantoside II. Offered by: GLPBio, Biosynth, MedChemExpress. Available pack sizes: 1mg, 5mg, 10mg, 25mg, Get quote.

Durantoside II
GLPBio
  • size: 1mg
  • Variants: 1
from 1430.17
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Durantoside II
Biosynth, MedChemExpress
  • size: 1mg, 5mg, 10mg, 25mg
  • Variants: 5
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Structural formula: {0} (CAS {1})

Methyl (1S,4aR,6S,7R,7aS)-4a,7-dihydroxy-6-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate (CAS 53526-66-2) is a chemical compound with the molecular formula C27H34O14 and a molecular weight of 582.5 g/mol. IUPAC name: methyl (1S,4aR,6S,7R,7aS)-4a,7-dihydroxy-6-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate. InChIKey: DVQVHBAATHWQAS-OALRNCSFSA-N.

Identity
Molecular formulaC27H34O14
Molecular weight582.5 g/mol
IUPAC namemethyl (1S,4aR,6S,7R,7aS)-4a,7-dihydroxy-6-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
InChIKeyDVQVHBAATHWQAS-OALRNCSFSA-N
SMILESC[C@@]1([C@H](C[C@]2([C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)OC(=O)/C=C/C4=CC=C(C=C4)OC)O

Computed by PubChem (NCBI)

Synonyms: DURANTOSIDE II, orb1682715
Isomers (same molecular formula)
1-[4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)propan-1-one C27H34O14
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-2-[3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethenyl]-2-methoxyphenoxy]oxane-3,4,5-triol C27H34O14
[(3R,4S,5R,6S)-4,5-diacetyloxy-6-[(3R,4S,5R,6R)-4,5-diacetyloxy-6-phenylmethoxyoxan-3-yl]oxyoxan-3-yl] acetate C27H34O14
[(E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]prop-2-enyl] acetate C27H34O14