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O-Desmethyl Mycophenolic Acid Methyl Ester-d3

ISO 17034:
Catalog Number : CS-T-88523
CAS Number : 1331670-20-2
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What is the Chemical Information of O-Desmethyl Mycophenolic Acid Methyl Ester-d3?

Chemical Name : O-Desmethyl Mycophenolic Acid Methyl Ester-d3
Category : Stable Isotopes

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Canonical SMILES : CC1=C2COC(=O)C2=C(C(=C1O)CC=C(C)CCC(=O)OC)O
Isomeric SMILES : [2H]C([2H])([2H])OC(=O)CC/C(=C/CC1=C(C(=C2COC(=O)C2=C1O)C)O)/C
InChI : InChI=1S/C17H20O6/c1-9(5-7-13(18)22-3)4-6-11-15(19)10(2)12-8-23-17(21)14(12)16(11)20/h4,19-20H,5-8H2,1-3H3/b9-4+/i3D3
InchIKey : ONBUUVPMBJOPQE-HZIIEIAOSA-N
IUPAC Name : trideuteriomethyl (E)-6-(4,6-dihydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
Exact Mass : 323.14481859

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