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METHYL-17-BETA-ACETOXY-3-METHOXY-15-ALPHA-PHENYLTHIO-14,17-ALPHA-ETHANOESTRA-1,3,5(10)-TRIENE-16-BETA-CARBOXYLATE
SpectraBase Compound ID 4gVuHlDwBlE
InChI InChI=1S/C31H36O5S/c1-19(32)36-31-17-16-30(27(26(31)28(33)35-4)37-22-8-6-5-7-9-22)25-13-10-20-18-21(34-3)11-12-23(20)24(25)14-15-29(30,31)2/h5-9,11-12,18,24-27H,10,13-17H2,1-4H3/t24?,25?,26-,27?,29+,30?,31-/m1/s1
InChIKey WNISYMTVXVKQBG-LLQAWNLJSA-N
Mol Weight 520.7 g/mol
Molecular Formula C31H36O5S
Exact Mass 520.228345 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8GHU1j4uVhI
Name METHYL-17-BETA-ACETOXY-3-METHOXY-15-ALPHA-PHENYLTHIO-14,17-ALPHA-ETHANOESTRA-1,3,5(10)-TRIENE-16-BETA-CARBOXYLATE
Compound Number 43
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H36O5S
InChI InChI=1S/C31H36O5S/c1-19(32)36-31-17-16-30(27(26(31)28(33)35-4)37-22-8-6-5-7-9-22)25-13-10-20-18-21(34-3)11-12-23(20)24(25)14-15-29(30,31)2/h5-9,11-12,18,24-27H,10,13-17H2,1-4H3/t24?,25?,26-,27?,29+,30?,31-/m1/s1
InChIKey WNISYMTVXVKQBG-LLQAWNLJSA-N
Literature Reference Author J.R.BULL,C.HOADLEY,P.G.MOUNTFORD,L.M.STEER
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1179(1997)
Literature Reference DOI 10.1039/a606242c
Molecular Weight 520.684 g/mol
Solvent CDCl3
Source File Reference UWRU9840