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ETHYL-3-BETA-ACETOXY-NORCHOLA-5,20(22)(E)-DIEN-24-OATE
SpectraBase Compound ID LURFByj3crW
InChI InChI=1S/C27H40O4/c1-6-30-25(29)15-17(2)22-9-10-23-21-8-7-19-16-20(31-18(3)28)11-13-26(19,4)24(21)12-14-27(22,23)5/h7,15,20-24H,6,8-14,16H2,1-5H3/b17-15+/t20-,21-,22+,23-,24-,26-,27+/m0/s1
InChIKey JRKZLVFUIDPSTA-IHHXYUIKSA-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 HwuEpNFqrhc
Name ETHYL-3-BETA-ACETOXY-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/c1-6-30-25(29)15-17(2)22-9-10-23-21-8-7-19-16-20(31-18(3)28)11-13-26(19,4)24(21)12-14-27(22,23)5/h7,15,20-24H,6,8-14,16H2,1-5H3/b17-15+/t20-,21-,22+,23-,24-,26-,27+/m0/s1
InChIKey JRKZLVFUIDPSTA-IHHXYUIKSA-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 UNIW17643