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ETHYL-3-ETHYLENDIOXY-23-NORCHOLA-5,20(22)(E)-DIEN-24-OATE

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ETHYL-3-ETHYLENDIOXY-23-NORCHOLA-5,20(22)(E)-DIEN-24-OATE
SpectraBase Compound ID HjLfndHUb8f
InChI InChI=1S/C27H40O4/c1-5-29-24(28)16-18(2)21-8-9-22-20-7-6-19-17-27(30-14-15-31-27)13-12-25(19,3)23(20)10-11-26(21,22)4/h6,16,20-23H,5,7-15,17H2,1-4H3/b18-16+/t20-,21+,22-,23-,25-,26+/m0/s1
InChIKey PYVKHSZLUGHERN-GUROGJMRSA-N
Mol Weight 428.6 g/mol
Molecular Formula C27H40O4
Exact Mass 428.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2kFnxwVWDxg
Name ETHYL-3-ETHYLENDIOXY-23-NORCHOLA-5,20(22)(E)-DIEN-24-OATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H40O4
InChI InChI=1S/C27H40O4/c1-5-29-24(28)16-18(2)21-8-9-22-20-7-6-19-17-27(30-14-15-31-27)13-12-25(19,3)23(20)10-11-26(21,22)4/h6,16,20-23H,5,7-15,17H2,1-4H3/b18-16+/t20-,21+,22-,23-,25-,26+/m0/s1
InChIKey PYVKHSZLUGHERN-GUROGJMRSA-N
Literature Reference Author M.S.MEIER,A.M.SELDES,E.G.GROS
Literature Reference Citation MAGN.RES.CHEM.,24,364(1986)
Molecular Weight 428.612 g/mol
Solvent CDCl3
Source File Reference UNIW17645