Products 860615-39-0

CAS 860615-39-0 is the registry number for Mycophenolic acid acyl-b-D-glucuronide allyl ester. Offered by: Biosynth. Available pack sizes: 5mg, 2mg, 10mg, 50mg, 25mg.

Mycophenolic acid acyl-b-D-glucuronide allyl ester
Biosynth
  • size: 5mg, 2mg, 10mg, 50mg
  • Variants: 5
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Structural formula: {0} (CAS {1})

Prop-2-enyl (2S,3S,5R,6S)-3,4,5-trihydroxy-6-[(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoyl]oxyoxane-2-carboxylate (CAS 860615-39-0) is a chemical compound with the molecular formula C26H32O12 and a molecular weight of 536.5 g/mol. IUPAC name: prop-2-enyl (2S,3S,5R,6S)-3,4,5-trihydroxy-6-[(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoyl]oxyoxane-2-carboxylate. InChIKey: BLQWZURKRLWLDD-NHFDKUBISA-N.

Identity
Molecular formulaC26H32O12
Molecular weight536.5 g/mol
IUPAC nameprop-2-enyl (2S,3S,5R,6S)-3,4,5-trihydroxy-6-[(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoyl]oxyoxane-2-carboxylate
InChIKeyBLQWZURKRLWLDD-NHFDKUBISA-N
SMILESCC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)O[C@H]3[C@@H](C([C@@H]([C@H](O3)C(=O)OCC=C)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: MYCOPHENOLIC ACID ACYL-BETA-D-GLUCURONIDE ALLYL ESTER, Mycophenolic Acid Acyl-b-D-glucuronide Allyl Ester
Isomers (same molecular formula)
(2S,3R,4S,5S,6R)-2-[4-[(3R,3aS,6S,6aR)-3a-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol C26H32O12
(3S,4S)-3-hydroxy-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one C26H32O12
methyl (1S,4aS,7S,7aS)-1-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate C26H32O12
(3S,4S)-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one C26H32O12
(3S,4S)-3-hydroxy-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[[4-hydroxy-3-methoxy-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]oxolan-2-one C26H32O12
(2S,3R,4S,5S,6R)-2-[[(3R,3aS,6S,6aR)-3,6-bis(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol C26H32O12