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5.ALPHA.-ANDROSTAN-12.BETA.-OL-2,6,16-TRIONE(2,6,16-TRI-O-METHYLOXIME)
SpectraBase Compound ID 8f2721Gn2yP
InChI InChI=1S/C22H35N3O4/c1-21-11-13(23-27-3)6-7-16(21)19(25-29-5)9-15-17-8-14(24-28-4)12-22(17,2)20(26)10-18(15)21/h15-18,20,26H,6-12H2,1-5H3/b23-13+,24-14+,25-19-
InChIKey QBANRWLWKBVLSM-ZCMNQDCQSA-N
Mol Weight 405.5 g/mol
Molecular Formula C22H35N3O4
Exact Mass 405.262757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kv8G5tdMAxb
Name 5.ALPHA.-ANDROSTAN-12.BETA.-OL-2,6,16-TRIONE(2,6,16-TRI-O-METHYLOXIME)
Alternate Name(s) 12-HYDROXYANDROSTANE-2,6,16-TRIONE TRIS(O-METHYLOXIME)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H35N3O4
InChI InChI=1S/C22H35N3O4/c1-21-11-13(23-27-3)6-7-16(21)19(25-29-5)9-15-17-8-14(24-28-4)12-22(17,2)20(26)10-18(15)21/h15-18,20,26H,6-12H2,1-5H3/b23-13+,24-14+,25-19-
InChIKey QBANRWLWKBVLSM-ZCMNQDCQSA-N
Nominal Mass 405 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)C\C(CCC2\C(CC2C3C(C)(C\C(=N\OC)C3)C(O)CC12)=N/OC)=N\OC
SPLASH splash10-0a4i-2349700000-db9cc2385ce1509f133f
Source File Reference LMCM-33393-577V
Source of Spectrum Copyright (C) Dr. Makin, London Hospital Medical College, UK