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16,16-D2-5a,14b-pregnane-3b,11a-diol
SpectraBase Compound ID I8xOoTmaCaW
InChI InChI=1S/C21H36O2/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/h13-19,22-23H,4-12H2,1-3H3/t13?,14-,15-,16?,17+,18+,19?,20-,21+/m0/s1/i6D2
InChIKey IOILQJHGPBLKBM-MTDIRXKBSA-N
Mol Weight 322.5 g/mol
Molecular Formula C21H342D2O2
Exact Mass 322.284084 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DKf4OAN9xIu
Name 16,16-D2-5a,14b-pregnane-3b,11a-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34D2O2
InChI InChI=1S/C21H36O2/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/h13-19,22-23H,4-12H2,1-3H3/t13?,14-,15-,16?,17+,18+,19?,20-,21+/m0/s1/i6D2
InChIKey IOILQJHGPBLKBM-MTDIRXKBSA-N
Molecular Weight 322.529 g/mol
SMILES O[C@]1(C2[C@]3(CC[C@@](C[C@@]3(CCC2[C@@]2([C@](C1)(C(C(C2)([2D])[2D])CC)C)[H])[H])(O)[H])C)[H]
SPLASH splash10-0mbi-4921000000-c9f7f3e4336b48ae13f9
Source of Spectrum SD-1992-0-0
Wiley ID 1320605