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11,11,16,16-D4-3b-acetoxy-5a-pregnane
SpectraBase Compound ID ACTa48WKP61
InChI InChI=1S/C23H38O2/c1-5-16-7-9-20-19-8-6-17-14-18(25-15(2)24)10-12-23(17,4)21(19)11-13-22(16,20)3/h16-21H,5-14H2,1-4H3/t16?,17-,18-,19?,20?,21?,22+,23-/m0/s1/i7D2,11D2
InChIKey XRFPNYQNNAHIPX-NROSIRBCSA-N
Mol Weight 350.6 g/mol
Molecular Formula C23H342D4O2
Exact Mass 350.312287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4yqLJAyXwq
Name 11,11,16,16-D4-3b-acetoxy-5a-pregnane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34D4O2
InChI InChI=1S/C23H38O2/c1-5-16-7-9-20-19-8-6-17-14-18(25-15(2)24)10-12-23(17,4)21(19)11-13-22(16,20)3/h16-21H,5-14H2,1-4H3/t16?,17-,18-,19?,20?,21?,22+,23-/m0/s1/i7D2,11D2
InChIKey XRFPNYQNNAHIPX-NROSIRBCSA-N
Molecular Weight 350.579 g/mol
SMILES [C@@]12(C3C(C4CC([2D])([2D])C([C@]4(CC3([2D])[2D])C)CC)CC[C@]2(C[C@@](OC(=O)C)(CC1)[H])[H])C
SPLASH splash10-0006-6790000000-7a9c005a9976631c59c2
Source of Spectrum SD-1992-0-0
Wiley ID 1339740