Products 52613-28-2

CAS 52613-28-2 appears in our catalog under these names: Deacetylasperulosidic Acid Methyl Ester, Methyl deacetylasperulosidate/ 99.07% (existing batch purity), Methyl deacetylasperulosidate (Standard), Methyl (1S,4aS,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate, 99.30% ,, 99.30% ,, Methyl deacetylasperulosidate, 98.49%. Offered by: Chemat Brand, TargetMol, MedChemExpress, Chemat. Available pack sizes: on request, 2mg, 5mg, 10mg, 25mg, 50mg, 100mg, Get quote.

Deacetylasperulosidic Acid Methyl Ester
Chemat Brand
  • size: on request
  • Variants: 1
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Methyl deacetylasperulosidate/ 99.07% (existing batch purity)
TargetMol
  • size: 2mg, 5mg, 10mg, 25mg
  • Variants: 6
from 386.15
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Methyl deacetylasperulosidate (Standard)
MedChemExpress
  • size: Get quote
  • Variants: 1
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Methyl (1S,4aS,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate, 99.30% ,, 99.30% ,
Chemat
  • size: 1mg, 5mg, 25mg, 100mg
  • Variants: 4
from 213.20
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Methyl deacetylasperulosidate, 98.49%
MedChemExpress
  • size: 10 mg, 5 mg, 50 mg, 25 mg
  • Variants: 5
from 407.93
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Structural formula: {0} (CAS {1})

Methyl (1S,4aS,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-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 52613-28-2) is a chemical compound with the molecular formula C17H24O11 and a molecular weight of 404.4 g/mol. IUPAC name: methyl (1S,4aS,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-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: WSGPLSDARZNMCW-FCVLBCLDSA-N.

Identity
Molecular formulaC17H24O11
Molecular weight404.4 g/mol
IUPAC namemethyl (1S,4aS,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-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
InChIKeyWSGPLSDARZNMCW-FCVLBCLDSA-N
SMILESCOC(=O)C1=CO[C@H]([C@H]2[C@@H]1[C@H](C=C2CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

Computed by PubChem (NCBI)

Synonyms: Deacetyl asperulosidic acid methyl ester, Methyl deacetylasperulosidate, DEACETYLASPERULOSIDIC ACID METHYL ESTER, 6-alpha-Hydroxygeniposide, 6|A-Hydroxygeniposide, 6alpha-hydroxygeniposide, 6beta-hydroxy geniposide, 6| cent-Hydroxygeniposide, orb1220710, orb1301540
Isomers (same molecular formula)
methyl (1S,4aS,7S,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate C17H24O11
2-[(2S,3R,4S)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]acetic acid C17H24O11
2-[(2S,3E)-3-ethylidene-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-4-yl]acetic acid C17H24O11
2-[(2S,3E,4S)-3-ethylidene-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-4-yl]acetic acid C17H24O11
methyl (1S,4aR,7aR)-4a-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate C17H24O11