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(3'S,5'R)-1-(3',5'-di-O-Acetyl-2'-deoxy-3',5'-ethano-.alpha.-/.beta.-D-ribofuranosyl)thymine
SpectraBase Compound ID HhmQeXWNhe4
InChI InChI=1S/C16H20N2O7/c1-8-7-18(15(22)17-14(8)21)12-6-16(25-10(3)20)5-4-11(13(16)24-12)23-9(2)19/h7,11-13H,4-6H2,1-3H3,(H,17,21,22)/t11-,12?,13-,16+/m1/s1
InChIKey POZGTDRQASZFDM-RQYPDSRBSA-N
Mol Weight 352.34 g/mol
Molecular Formula C16H20N2O7
Exact Mass 352.127051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4hKRAzFcR6
Name (3'S,5'R)-1-(3',5'-di-O-Acetyl-2'-deoxy-3',5'-ethano-.alpha.-/.beta.-D-ribofuranosyl)thymine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2O7
InChI InChI=1S/C16H20N2O7/c1-8-7-18(15(22)17-14(8)21)12-6-16(25-10(3)20)5-4-11(13(16)24-12)23-9(2)19/h7,11-13H,4-6H2,1-3H3,(H,17,21,22)/t11-,12?,13-,16+/m1/s1
InChIKey POZGTDRQASZFDM-RQYPDSRBSA-N
Molecular Weight 352.343 g/mol
SMILES N1C(C(=CN(C1=O)C1O[C@@]2([C@](OC(=O)C)(CC[C@@]2(C1)OC(=O)C)[H])[H])C)=O
SPLASH splash10-0ar3-2900000000-d6157105ff7c21a2700e
Source of Spectrum H-76-501-21
Synonyms (3aS,6S,6aR)-3a-(acetyloxy)-2-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)hexahydro-3aH-cyclopenta[b]furan-6-yl acetate Acetic acid (3aS,6R,6aR)-6-acetoxy-2-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-hexahydro-cyclopenta[b]furan-3a-yl ester
Wiley ID 1343023