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(8S,9S,11R)-METHYL-8-IODO-9,11-O-ISOPROPYLIDENEICOSA-12E,14Z-DIEN-5-YNOATE
SpectraBase Compound ID Gp5xQWRGWFG
InChI InChI=1S/C24H37IO4/c1-5-6-7-8-9-10-13-16-20-19-22(29-24(2,3)28-20)21(25)17-14-11-12-15-18-23(26)27-4/h9-10,13,16,20-22H,5-8,12,15,17-19H2,1-4H3/b10-9-,16-13+/t20-,21-,22-/m1/s1
InChIKey IQWRISKCBYVBQK-CPDMNFQOSA-N
Mol Weight 516.5 g/mol
Molecular Formula C24H37IO4
Exact Mass 516.173655 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BuCyEJs1aPL
Name (8S,9S,11R)-METHYL-8-IODO-9,11-O-ISOPROPYLIDENEICOSA-12E,14Z-DIEN-5-YNOATE
Compound Number 22-EZ
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H37IO4
InChI InChI=1S/C24H37IO4/c1-5-6-7-8-9-10-13-16-20-19-22(29-24(2,3)28-20)21(25)17-14-11-12-15-18-23(26)27-4/h9-10,13,16,20-22H,5-8,12,15,17-19H2,1-4H3/b10-9-,16-13+/t20-,21-,22-/m1/s1
InChIKey IQWRISKCBYVBQK-CPDMNFQOSA-N
Literature Reference Author T.DURAND,A.GUY,J.P.VIDAL,J.C.ROSSI
Literature Reference Citation J.ORG.CHEM.,67,3615(2002)
Literature Reference DOI 10.1021/jo0109624
Molecular Weight 516.460 g/mol
Solvent CDCl3
Source File Reference UWSI21778