CAS
86061-05-4 Purity
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86061-05-4 Purity
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Mycophenolic acid acyl-β-D-glucuronide allyl ester
CAS
860615-39-0
Catalog Number
ACM860615390
Category
Other Products
Molecular Weight
536.53
Molecular Formula
C26H32O12
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Specification
Synonyms
1-[(4E)-6-(1,3-Dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoate] β-D-Glucopyranuronic Acid 2-Propen-1-yl Ester;
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
Canonical SMILES
CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)OC3C(C(C(C(O3)C(=O)OCC=C)O)O)O)OC
InChI Key
BLQWZURKRLWLDD-NHFDKUBISA-N
Appearance
Off-White Foam
Exact Mass
536.18900
H-Bond Acceptor
12
H-Bond Donor
4
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