Methyl Mycophenolate

CAS	31858-66-9
Structure
Description	Methyl mycophenolate is found in the marine fungus Phaeosphaeria spartinae. Methyl mycophenolate is the methyl ester form of mycophenolic acid.
Synonyms	Mycophenolic acid methyl ester
IUPAC Name	Methyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
Molecular Weight	334.4
Molecular Formula	C18H22O6
Canonical SMILES	CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CCC(=O)OC)O
InChI	InChI=1S/C18H22O6/c1-10(6-8-14(19)22-3)5-7-12-16(20)15-13(9-24-18(15)21)11(2)17(12)23-4/h5,20H,6-9H2,1-4H3/b10-5+
InChI Key	ZPXRQFLATDNYSS-BJMVGYQFSA-N
Boiling Point	540.4±50.0 °C (lit.)
Melting Point	105-106 °C
Purity	95%+
Density	1.222±0.06 g/cm³
Complexity	500
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	334.14163842
Heavy Atom Count	24
Isomeric SMILES	CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)OC)O
Monoisotopic Mass	334.14163842
Physical State	Powder
Storage Conditions	Powder: -20°C for 3 years In solvent: -80°C for 2 years
Topological Polar Surface Area	82.1 Ų