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Tibolone AC
SpectraBase Compound ID 67TrhiEmVZg
InChI InChI=1S/C23H30O3/c1-5-23(26-15(3)24)11-9-20-21-14(2)12-16-13-17(25)6-7-18(16)19(21)8-10-22(20,23)4/h1,14,19-21H,6-13H2,2-4H3
InChIKey YSFVOOHQKLEKHJ-UHFFFAOYSA-N
Mol Weight 354.49 g/mol
Molecular Formula C23H30O3
Exact Mass 354.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 77Os9k7O7VJ
Name Tibolone AC
Classification Androgen
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Exact Mass 354.219494823 u
Formula C23H30O3
InChI InChI=1S/C23H30O3/c1-5-23(26-15(3)24)11-9-20-21-14(2)12-16-13-17(25)6-7-18(16)19(21)8-10-22(20,23)4/h1,14,19-21H,6-13H2,2-4H3
InChIKey YSFVOOHQKLEKHJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 354.490 g/mol
SMILES C1C(CC=2CC(C3C(C2C1)CCC1(C3CCC1(OC(C)=O)C#C)C)C)=O
SPLASH splash10-0a4i-4941000000-52ca0b3161e7b7229e8b
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_6023