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Chemical structure of O-Desmethyl mycophenolic acid methyl ester

GC61149

O-Desmethyl mycophenolic acid methyl ester

Also known as methyl (E)-6-(4,6-dihydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate

O-Desmethyl mycophenolic acid methyl ester is an intermediate in the synthesis of Mycophenolic acid

ChemicalCAS33431-38-8MW320.34FormulaC17H20O6
CAS number
33431-38-8
Molecular weight
320.34
Formula
C17H20O6
InChIKey
ONBUUVPMBJOPQE-RUDMXATFSA-N
Catalogue number
GC61149
Brand
GLPBIO
Computed properties PubChem CID 29938276 · XLogP 3.2 · TPSA 93.1 Ų · H-bond donors 2
XLogP
3.2
TPSA
93.1 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
23

SMILES CC1=C2COC(=O)C2=C(C(=C1O)C/C=C(\C)/CCC(=O)OC)O

Computed descriptors from PubChem (CID 29938276), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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