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(R,S)-3-.alpha./.beta.-Iodoandrostan-17-one
SpectraBase Compound ID 5Q5bcmXctr5
InChI InChI=1S/C19H29IO/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16H,3-11H2,1-2H3/t12-,13?,14?,15-,16?,18-,19-/m0/s1
InChIKey OVPOFQLHKQFQRE-UBAVPREFSA-N
Mol Weight 400.34 g/mol
Molecular Formula C19H29IO
Exact Mass 400.126311 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ZBcamaQ1T2
Name (R,S)-3-.alpha./.beta.-Iodoandrostan-17-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H29IO
InChI InChI=1S/C19H29IO/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16H,3-11H2,1-2H3/t12-,13?,14?,15-,16?,18-,19-/m0/s1
InChIKey OVPOFQLHKQFQRE-UBAVPREFSA-N
Molecular Weight 400.344 g/mol
SMILES [C@@]12(C3C([C@@]4(CCC([C@]4(CC3)C)=O)[H])CC[C@]2(CC(CC1)I)[H])C
SPLASH splash10-00xr-0191000000-34b785f9c667a73f6f76
Source of Spectrum SO-0-643-7
Wiley ID 1542379