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16a-Benzylsulfonyl-3-methoxy-1,3,5(10)-estratrien-17b-ol

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16a-Benzylsulfonyl-3-methoxy-1,3,5(10)-estratrien-17b-ol
SpectraBase Compound ID GOyzkEBrHuB
InChI InChI=1S/C26H32O4S/c1-26-13-12-21-20-11-9-19(30-2)14-18(20)8-10-22(21)23(26)15-24(25(26)27)31(28,29)16-17-6-4-3-5-7-17/h3-7,9,11,14,21-25,27H,8,10,12-13,15-16H2,1-2H3
InChIKey CBERXBPPQLWLIG-UHFFFAOYSA-N
Mol Weight 440.6 g/mol
Molecular Formula C26H32O4S
Exact Mass 440.202131 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 63VmvAPEZPK
Name 16a-Benzylsulfonyl-3-methoxy-1,3,5(10)-estratrien-17b-ol
CAS Registry Number 51946-50-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C26H32O4S
InChI InChI=1S/C26H32O4S/c1-26-13-12-21-20-11-9-19(30-2)14-18(20)8-10-22(21)23(26)15-24(25(26)27)31(28,29)16-17-6-4-3-5-7-17/h3-7,9,11,14,21-25,27H,8,10,12-13,15-16H2,1-2H3
InChIKey CBERXBPPQLWLIG-UHFFFAOYSA-N
Instrument Name Jeol PFT-100
Literature Reference G. Engelhardt, D. Zeigan, B. Schoenecker, Org. Magn. Resonance 12, 628 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3