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Medroxyprogesterone -H2O
SpectraBase Compound ID F9S7KQPwgkV
InChI InChI=1S/C22H30O2/c1-13-11-16-18-6-5-17(14(2)23)21(18,3)10-8-19(16)22(4)9-7-15(24)12-20(13)22/h5,12-13,16,18-19H,6-11H2,1-4H3
InChIKey OYKZZOBOZGNJRB-UHFFFAOYSA-N
Mol Weight 326.48 g/mol
Molecular Formula C22H30O2
Exact Mass 326.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5hmzBE2N7Ab
Name Medroxyprogesterone -H2O
Classification Gestagen
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Exact Mass 326.224580204 u
Formula C22H30O2
InChI InChI=1S/C22H30O2/c1-13-11-16-18-6-5-17(14(2)23)21(18,3)10-8-19(16)22(4)9-7-15(24)12-20(13)22/h5,12-13,16,18-19H,6-11H2,1-4H3
InChIKey OYKZZOBOZGNJRB-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 326.480 g/mol
Related CAS Registry Number(s) 520-85-4
SMILES CC(C=1C2(C)C(C3C(CC2)C2(C)C(C(C3)C)=CC(CC2)=O)CC1)=O
SPLASH splash10-004l-5922000000-f40b66c8f53ef071266d
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_2802