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Gestonorone caproate
SpectraBase Compound ID 9dxnAkp2VAC
InChI InChI=1S/C26H38O4/c1-4-5-6-7-24(29)30-26(17(2)27)15-13-23-22-10-8-18-16-19(28)9-11-20(18)21(22)12-14-25(23,26)3/h16,20-23H,4-15H2,1-3H3
InChIKey XURCMZMFZXXQDJ-UHFFFAOYSA-N
Mol Weight 414.6 g/mol
Molecular Formula C26H38O4
Exact Mass 414.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2CDUslcXhI
Name Gestonorone caproate
CAS Registry Number 1253-28-7
Classification Gestagen
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 414.277009700 u
Formula C26H38O4
InChI InChI=1S/C26H38O4/c1-4-5-6-7-24(29)30-26(17(2)27)15-13-23-22-10-8-18-16-19(28)9-11-20(18)21(22)12-14-25(23,26)3/h16,20-23H,4-15H2,1-3H3
InChIKey XURCMZMFZXXQDJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 414.586 g/mol
SMILES C1C(=O)C=C2CCC3C(C2C1)CCC1(C(CCC31)(OC(=O)CCCCC)C(=O)C)C
SPLASH splash10-00di-6491000000-6f14890851614108005b
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_2279