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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 9zyfDcL6yLC
InChI InChI=1S/C29H37NO4S/c1-16(31)33-23-12-14-29(4)20-11-13-28(3)19(9-10-25(28)34-17(2)32)18(20)15-22-26(29)27(23)35-24-8-6-5-7-21(24)30-22/h5-8,18-20,23,25-27H,9-15H2,1-4H3/t18-,19-,20-,23-,25-,26+,27-,28-,29+/m0/s1
InChIKey PRBVPKJNKXPNOC-XOOOQCFCSA-N
Mol Weight 495.7 g/mol
Molecular Formula C29H37NO4S
Exact Mass 495.24433 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2fu3QqrzU1s
Name 2',3'-DIHYDRO-3-BETA,17-BETA-DIACETOXY-5-BETA-ANDROSTANO-[4-BETA,6-B,C]-1',5'-BENZOTHIAZEPINE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H37NO4S
InChI InChI=1S/C29H37NO4S/c1-16(31)33-23-12-14-29(4)20-11-13-28(3)19(9-10-25(28)34-17(2)32)18(20)15-22-26(29)27(23)35-24-8-6-5-7-21(24)30-22/h5-8,18-20,23,25-27H,9-15H2,1-4H3/t18-,19-,20-,23-,25-,26+,27-,28-,29+/m0/s1
InChIKey PRBVPKJNKXPNOC-XOOOQCFCSA-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 495.677 g/mol
Solvent CDCl3
Source File Reference UWCS15496