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3,3',5'-Tribenzoyl-5-[(E)-1-octenyl]-2'-deoxyuridine
SpectraBase Compound ID ExLfgwxcQ7k
InChI InChI=1S/C38H38N2O8/c1-2-3-4-5-6-10-23-30-25-39(38(45)40(35(30)42)34(41)27-17-11-7-12-18-27)33-24-31(48-37(44)29-21-15-9-16-22-29)32(47-33)26-46-36(43)28-19-13-8-14-20-28/h7-23,25,31-33H,2-6,24,26H2,1H3/b23-10+/t31-,32+,33+/m0/s1
InChIKey CYGOQSJKUBZBFG-APTSCQEKSA-N
Mol Weight 650.7 g/mol
Molecular Formula C38H38N2O8
Exact Mass 650.262816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5sIBPCxJ71b
Name 3,3',5'-Tribenzoyl-5-[(E)-1-octenyl]-2'-deoxyuridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H38N2O8
InChI InChI=1S/C38H38N2O8/c1-2-3-4-5-6-10-23-30-25-39(38(45)40(35(30)42)34(41)27-17-11-7-12-18-27)33-24-31(48-37(44)29-21-15-9-16-22-29)32(47-33)26-46-36(43)28-19-13-8-14-20-28/h7-23,25,31-33H,2-6,24,26H2,1H3/b23-10+/t31-,32+,33+/m0/s1
InChIKey CYGOQSJKUBZBFG-APTSCQEKSA-N
Molecular Weight 650.728 g/mol
SMILES C1(N(C(C(=CN1[C@@]1(O[C@](COC(=O)c2ccccc2)([C@](C1)(OC(=O)c1ccccc1)[H])[H])[H])\C=C\CCCCCC)=O)C(=O)c1ccccc1)=O
SPLASH splash10-053r-9401000000-e84571f0fa0b70d821a8
Source of Spectrum H1-42-381-5
Synonyms (2R,3S,5R)-5-{3-benzoyl-5-[(1E)-oct-1-en-1-yl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl}-2-[(benzoyloxy)methyl]oxolan-3-yl benzoate
Wiley ID 757559