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2',3'-DIHYDRO-3-BETA,17-BETA-DIACETOXY-5-BETA-ANDROSTANO-[4-BETA,6-B,C]-1',5'-BENZOTHIAZEPINE
SpectraBase Compound ID B4bw9kv3kbj
InChI InChI=1S/C25H33NO2S/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/h3-6,14-16,19,21-23,27-28H,7-13H2,1-2H3/t14-,15-,16-,19-,21-,22+,23-,24-,25+/m0/s1
InChIKey WATJWBNETLHDKM-WLJKLAQHSA-N
Mol Weight 411.6 g/mol
Molecular Formula C25H33NO2S
Exact Mass 411.2232 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2WEuIsefsbE
Name 2',3'-DIHYDRO-3-BETA,17-BETA-DIACETOXY-5-BETA-ANDROSTANO-[4-BETA,6-B,C]-1',5'-BENZOTHIAZEPINE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H33NO2S
InChI InChI=1S/C25H33NO2S/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/h3-6,14-16,19,21-23,27-28H,7-13H2,1-2H3/t14-,15-,16-,19-,21-,22+,23-,24-,25+/m0/s1
InChIKey WATJWBNETLHDKM-WLJKLAQHSA-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 411.603 g/mol
Solvent CDCl3
Source File Reference UWCS15498