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3a-Tosyloxy-5b-androstane-17b-carboxylic acid, methyl ester

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3a-Tosyloxy-5b-androstane-17b-carboxylic acid, methyl ester
SpectraBase Compound ID 15a0uzPSFD3
InChI InChI=1S/C28H40O5S/c1-18-5-8-21(9-6-18)34(30,31)33-20-13-15-27(2)19(17-20)7-10-22-23-11-12-25(26(29)32-4)28(23,3)16-14-24(22)27/h5-6,8-9,19-20,22-25H,7,10-17H2,1-4H3
InChIKey QMISJJBGYBQJCT-UHFFFAOYSA-N
Mol Weight 488.7 g/mol
Molecular Formula C28H40O5S
Exact Mass 488.259646 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1hXAFQCehWY
Name 3a-Tosyloxy-5b-androstane-17b-carboxylic acid, methyl ester
CAS Registry Number 95846-44-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C28H40O5S
InChI InChI=1S/C28H40O5S/c1-18-5-8-21(9-6-18)34(30,31)33-20-13-15-27(2)19(17-20)7-10-22-23-11-12-25(26(29)32-4)28(23,3)16-14-24(22)27/h5-6,8-9,19-20,22-25H,7,10-17H2,1-4H3
InChIKey QMISJJBGYBQJCT-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference A.M. Seldes, M.E. Deluca, E.G.Gros, Magn. Res. Chem. 24, 185 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3