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16,16-D2-5a,14b-pregnane-3,11-dione

View entire compound with spectra: 1 MS (GC)

16,16-D2-5a,14b-pregnane-3,11-dione
SpectraBase Compound ID JkazvMBnFyj
InChI InChI=1S/C21H32O2/c1-4-13-6-8-17-16-7-5-14-11-15(22)9-10-20(14,2)19(16)18(23)12-21(13,17)3/h13-14,16-17,19H,4-12H2,1-3H3/t13?,14-,16?,17+,19?,20-,21+/m0/s1/i6D2
InChIKey VCKYTJBPJGNTIZ-GQLQTUGBSA-N
Mol Weight 318.5 g/mol
Molecular Formula C21H302D2O2
Exact Mass 318.252784 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3bAnkX4Jc1u
Name 16,16-D2-5a,14b-pregnane-3,11-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30D2O2
InChI InChI=1S/C21H32O2/c1-4-13-6-8-17-16-7-5-14-11-15(22)9-10-20(14,2)19(16)18(23)12-21(13,17)3/h13-14,16-17,19H,4-12H2,1-3H3/t13?,14-,16?,17+,19?,20-,21+/m0/s1/i6D2
InChIKey VCKYTJBPJGNTIZ-GQLQTUGBSA-N
Molecular Weight 318.497 g/mol
SMILES [C@@]12([C@@](C3CC[C@@]4([C@@](C3C(C2)=O)(CCC(=O)C4)C)[H])(CC(C1CC)([2D])[2D])[H])C
SPLASH splash10-0a4i-9410000000-0a5b7f71cc1dd7a8dace
Source of Spectrum SD-1992-0-0
Wiley ID 1317320