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(4R,5S,7S,8R,11R)-2,12,12,12-Tetradeutero-7,8-dihydroxy-1-oxoquiroga-2,9-diene
SpectraBase Compound ID 5yCG8Ns9ocm
InChI InChI=1S/C15H20O3/c1-7-5-9(16)10-8(2)6-15(18)11(7)12(10)14(3,4)13(15)17/h5-6,10-13,17-18H,1-4H3/t10-,11-,12-,13+,15-/m1/s1/i3D3,5D/t10-,11-,12-,13+,14-,15-
InChIKey ZTYOXJAAZQVRBX-MGDDSNSKSA-N
Mol Weight 252.35 g/mol
Molecular Formula C15H162D4O3
Exact Mass 252.166351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GGajN2Wnwgb
Name (4R,5S,7S,8R,11R)-2,12,12,12-Tetradeutero-7,8-dihydroxy-1-oxoquiroga-2,9-diene
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16D4O3
InChI InChI=1S/C15H20O3/c1-7-5-9(16)10-8(2)6-15(18)11(7)12(10)14(3,4)13(15)17/h5-6,10-13,17-18H,1-4H3/t10-,11-,12-,13+,15-/m1/s1/i3D3,5D/t10-,11-,12-,13+,14-,15-
InChIKey ZTYOXJAAZQVRBX-MGDDSNSKSA-N
Molecular Weight 252.346 g/mol
SMILES O[C@]1([C@@]([C@]2(C3[C@@]1(C=C([C@@]2(C(=O)C(=C3C)[2D])[H])C)O)[H])(C)C([2D])([2D])[2D])[H]
SPLASH splash10-03fu-9720000000-434a3a0d640850aba49f
Source of Spectrum KC-57-7275-6
Wiley ID 1625465