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Pregn-4-ene-3,20-dione, 17-(acetyloxy)-6-methyl-, (6.alpha.)-
SpectraBase Compound ID Ksrf8RifWqR
InChI InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3
InChIKey PSGAAPLEWMOORI-UHFFFAOYSA-N
Mol Weight 386.5 g/mol
Molecular Formula C24H34O4
Exact Mass 386.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J3ixlUdOC1t
Name Medroxyprogesterone AC
CAS Registry Number 71-58-9
Classification Gestagen
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Exact Mass 386.245709571 u
Formula C24H34O4
InChI InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3
InChIKey PSGAAPLEWMOORI-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 386.532 g/mol
SMILES C(OC1(C(C)=O)C2(C)C(C3C(CC2)C2(C)C(C(C3)C)=CC(CC2)=O)CC1)(C)=O
SPLASH splash10-001i-6983000000-fe0151d52df9af2778cb
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_2803