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METHYL-17-BETA-ACETOXY-15-BETA,16-BETA-DIHYDROXY-3-METHOXY-14,17-ALPHA-ETHANOESTRA-1,3,5(10)-TRIENE-16-ALPHA-CARBOXYLATE
SpectraBase Compound ID L91EoK608ZP
InChI InChI=1S/C25H32O7/c1-14(26)32-24-12-11-23(20(27)25(24,29)21(28)31-4)19-8-5-15-13-16(30-3)6-7-17(15)18(19)9-10-22(23,24)2/h6-7,13,18-20,27,29H,5,8-12H2,1-4H3/t18?,19?,20-,22-,23?,24-,25+/m0/s1
InChIKey DKFFDQJZLJGLQR-KMPADGJHSA-N
Mol Weight 444.5 g/mol
Molecular Formula C25H32O7
Exact Mass 444.214803 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DQlaIDHkWSV
Name METHYL-17-BETA-ACETOXY-15-BETA,16-BETA-DIHYDROXY-3-METHOXY-14,17-ALPHA-ETHANOESTRA-1,3,5(10)-TRIENE-16-ALPHA-CARBOXYLATE
Compound Number 29
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H32O7
InChI InChI=1S/C25H32O7/c1-14(26)32-24-12-11-23(20(27)25(24,29)21(28)31-4)19-8-5-15-13-16(30-3)6-7-17(15)18(19)9-10-22(23,24)2/h6-7,13,18-20,27,29H,5,8-12H2,1-4H3/t18?,19?,20-,22-,23?,24-,25+/m0/s1
InChIKey DKFFDQJZLJGLQR-KMPADGJHSA-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 444.525 g/mol
Solvent CDCl3
Source File Reference UWRU9839