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4H-Cyclopenta-1,3-dioxole-4-ethanol, tetrahydro-6-(6-methoxy-9H-purin-9-yl)-2,2-dimethyl-, [3aR-(3a.alpha.,4.alpha.,6.alpha.,6a.alph a.)]-
SpectraBase Compound ID EFY44AIH2DO
InChI InChI=1S/C16H22N4O4/c1-16(2)23-12-9(4-5-21)6-10(13(12)24-16)20-8-19-11-14(20)17-7-18-15(11)22-3/h7-10,12-13,21H,4-6H2,1-3H3/t9-,10-,12-,13+/m1/s1
InChIKey IDOVPKNGXYDYLY-WFFHOREQSA-N
Mol Weight 334.38 g/mol
Molecular Formula C16H22N4O4
Exact Mass 334.164105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Caq7Ufeh3vs
Name 4H-Cyclopenta-1,3-dioxole-4-ethanol, tetrahydro-6-(6-methoxy-9H-purin-9-yl)-2,2-dimethyl-, [3aR-(3a.alpha.,4.alpha.,6.alpha.,6a.alph a.)]-
CAS Registry Number 119833-91-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22N4O4
InChI InChI=1S/C16H22N4O4/c1-16(2)23-12-9(4-5-21)6-10(13(12)24-16)20-8-19-11-14(20)17-7-18-15(11)22-3/h7-10,12-13,21H,4-6H2,1-3H3/t9-,10-,12-,13+/m1/s1
InChIKey IDOVPKNGXYDYLY-WFFHOREQSA-N
Molecular Weight 334.376 g/mol
SMILES OCC[C@@]1(C[C@@]([n]2c3c(c(OC)ncn3)nc2)([C@]2([C@@]1(OC(O2)(C)C)[H])[H])[H])[H]
SPLASH splash10-003r-0291000000-e98d710d69541c3b7869
Source of Spectrum KC-1988-2932-29
Synonyms (3aS,4R,6S,6aR)-9-[4,5,6,6a-tetra-hydro-6-(2-hydroxyethyl)-2,2-dimethyl-3ah-cyclopenta-1,3-dioxol-4-yl]-6-methoxy-9H-purine 2-[(3aR,4S,6R,6aS)-6-(6-methoxy-9H-purin-9-yl)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethanol
Wiley ID 1330756