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Thymidine-8-Methoxypsoralen Tetramethylethylene Diadduct
[CAS# 94591-68-1]

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CAS#: 94591-68-1
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Identification
Name Thymidine-8-Methoxypsoralen Tetramethylethylene Diadduct
Synonyms Tmpte; Thymidine-8-Methoxypsoralen Tetramethylethylene Diadduct
Molecular Structure CAS#: 94591-68-1, Thymidine-8-Methoxypsoralen Tetramethylethylene Diadduct
Molecular Formula C28H34N2O9
Molecular Weight 542.58
CAS Registry Number 94591-68-1
SMILES N6(C1C(C2C1OC5=C2C=C4C3C(C(C3C(OC4=C5OC)=O)(C)C)(C)C)(C(=O)NC6=O)C)C7O[C@@H]([C@@H](O)C7)CO
InChI 1S/C28H34N2O9/c1-26(2)15-10-7-11-16-20(38-18(11)21(36-6)19(10)39-23(33)17(15)27(26,3)4)22-28(16,5)24(34)29-25(35)30(22)14-8-12(32)13(9-31)37-14/h7,12-17,20,22,31-32H,8-9H2,1-6H3,(H,29,34,35)/t12-,13+,14?,15?,16?,17?,20?,22?,28?/m0/s1
InChIKey ATXBJKXCSFZKBX-FNGWQMIZSA-N
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