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Chemical structure of (E)-Methyl mycophenolate

GC38715

(E)-Methyl mycophenolate

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

(E)-Methyl mycophenolate is a methyl ester of mycophenolic acid and is also found in marine-derived fungus Phaeosphaeria spartinae

ChemicalCAS31858-66-9MW334.36FormulaC18H22O6
CAS number
31858-66-9
Molecular weight
334.36
Formula
C18H22O6
Solubility
DMSO ： 100 mg/mL (299·07 mM; Need ultrasonic)
InChIKey
ZPXRQFLATDNYSS-BJMVGYQFSA-N
Catalogue number
GC38715
Brand
GLPBIO
Computed properties PubChem CID 6478685 · XLogP 3.5 · TPSA 82.1 Ų · H-bond donors 1
XLogP
3.5
TPSA
82.1 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
24

SMILES CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)OC)O

Computed descriptors from PubChem (CID 6478685), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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