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[(2R,3R,4R,5R)-5-[4-(2,2-dimethylpropanoylamino)-2-oxo-pyrimidin-1-yl]-3,4-bis(2,2-dimethylpropanoyloxy)tetrahydrofuran-2-yl]methyl 2,2-dimethylpropanoate

View entire compound with spectra: 1 MS (GC)

[(2R,3R,4R,5R)-5-[4-(2,2-dimethylpropanoylamino)-2-oxo-pyrimidin-1-yl]-3,4-bis(2,2-dimethylpropanoyloxy)tetrahydrofuran-2-yl]methyl 2,2-dimethylpropanoate
SpectraBase Compound ID LgcfOy1WZc6
InChI InChI=1S/C29H45N3O9/c1-26(2,3)21(33)30-17-13-14-32(25(37)31-17)20-19(41-24(36)29(10,11)12)18(40-23(35)28(7,8)9)16(39-20)15-38-22(34)27(4,5)6/h13-14,16,18-20H,15H2,1-12H3,(H,30,31,33,37)/t16-,18-,19-,20-/m1/s1
InChIKey ICICMDQHQSBQKQ-VBSBHUPXSA-N
Mol Weight 579.7 g/mol
Molecular Formula C29H45N3O9
Exact Mass 579.31558 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1XCcfUxulFN
Name [(2R,3R,4R,5R)-5-[4-(2,2-dimethylpropanoylamino)-2-oxo-pyrimidin-1-yl]-3,4-bis(2,2-dimethylpropanoyloxy)tetrahydrofuran-2-yl]methyl 2,2-dimethylpropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H45N3O9
InChI InChI=1S/C29H45N3O9/c1-26(2,3)21(33)30-17-13-14-32(25(37)31-17)20-19(41-24(36)29(10,11)12)18(40-23(35)28(7,8)9)16(39-20)15-38-22(34)27(4,5)6/h13-14,16,18-20H,15H2,1-12H3,(H,30,31,33,37)/t16-,18-,19-,20-/m1/s1
InChIKey ICICMDQHQSBQKQ-VBSBHUPXSA-N
Literature Reference DOI 10.1002/rcm.7393
Molecular Weight 579.691 g/mol
SMILES N(C1=NC(=O)N([C@]2([C@@]([C@@]([C@](O2)(COC(=O)C(C)(C)C)[H])(OC(C(C)(C)C)=O)[H])(OC(C(C)(C)C)=O)[H])[H])C=C1)C(C(C)(C)C)=O
SPLASH splash10-0a4r-9532000000-f584f1668d1489c0fd74
Source of Spectrum RCM-29-SM2-Fig1(D)
Synonyms (2R,3R,4R,5R)-2-(2-oxo-4-pivalamidopyrimidin-1(2H)-yl)-5-((pivaloyloxy)methyl)tetrahydrofuran-3,4-diyl bis(2,2-dimethylpropanoate)
Wiley ID 1820776