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2',3'-DIHYDRO-3,17-DIKETO-5-BETA-ANDROSTANO-[4-BETA,6-B,C]-1',5'-BENZOTHIAZEPINE
SpectraBase Compound ID oPYH6VaWlh
InChI InChI=1S/C25H29NO2S/c1-24-11-9-16-14(15(24)7-8-21(24)28)13-18-22-23(19(27)10-12-25(16,22)2)29-20-6-4-3-5-17(20)26-18/h3-6,14-16,22-23H,7-13H2,1-2H3/t14-,15-,16-,22+,23-,24-,25+/m0/s1
InChIKey ULJLEUVZNALJSD-LBIUFUEISA-N
Mol Weight 407.57 g/mol
Molecular Formula C25H29NO2S
Exact Mass 407.1919 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5uY1uhiF3DO
Name 2',3'-DIHYDRO-3,17-DIKETO-5-BETA-ANDROSTANO-[4-BETA,6-B,C]-1',5'-BENZOTHIAZEPINE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H29NO2S
InChI InChI=1S/C25H29NO2S/c1-24-11-9-16-14(15(24)7-8-21(24)28)13-18-22-23(19(27)10-12-25(16,22)2)29-20-6-4-3-5-17(20)26-18/h3-6,14-16,22-23H,7-13H2,1-2H3/t14-,15-,16-,22+,23-,24-,25+/m0/s1
InChIKey ULJLEUVZNALJSD-LBIUFUEISA-N
Literature Reference Author H.L.HOLLAND,S.KUMARESAN,G.LAKSHMAIAH
Literature Reference Citation CAN.J.CHEM.,73,2185(1995)
Literature Reference DOI 10.1139/v95-271
Molecular Weight 407.571 g/mol
Solvent CDCl3
Source File Reference UWCS15499