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16,16-dideuterio-19-acetoxy-3.beta.-hydroxyandrost-5-en-17-one
SpectraBase Compound ID 11LOK0ojkAb
InChI InChI=1S/C21H30O4/c1-13(22)25-12-21-10-7-15(23)11-14(21)3-4-16-17-5-6-19(24)20(17,2)9-8-18(16)21/h3,15-18,23H,4-12H2,1-2H3/t15-,16-,17-,18-,20-,21+/m0/s1/i6D2
InChIKey RBDUIFFRHOSCLY-DZESYQQWSA-N
Mol Weight 348.48 g/mol
Molecular Formula C21H282D2O4
Exact Mass 348.226963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7GM1xUUcwqy
Name 16,16-dideuterio-19-acetoxy-3.beta.-hydroxyandrost-5-en-17-one
Alternate Name(s) (16,16-dideuterio)-19-acetoxy-3.beta.-hydroxyandrost-5-en-17-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28D2O4
InChI InChI=1S/C21H30O4/c1-13(22)25-12-21-10-7-15(23)11-14(21)3-4-16-17-5-6-19(24)20(17,2)9-8-18(16)21/h3,15-18,23H,4-12H2,1-2H3/t15-,16-,17-,18-,20-,21+/m0/s1/i6D2
InChIKey RBDUIFFRHOSCLY-DZESYQQWSA-N
Molecular Weight 348.479 g/mol
SMILES O[C@]1(CC[C@]2(C(=CC[C@]3([C@@]4(CC([2D])([2D])C([C@]4(CC[C@]23[H])C)=O)[H])[H])C1)COC(=O)C)[H]
SPLASH splash10-0ac9-0092000000-53c5480daa4df65de19e
Source of Spectrum JC-440-418-2
Wiley ID 1339523