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18-IODO-15,16-EPOXY-18A-HOMO-1(10),13(16),14-ENT-HALIMATRIEN-12R-OL
SpectraBase Compound ID J75fhC49yei
InChI InChI=1S/C21H31IO2/c1-15-6-7-17-18(5-4-9-20(17,2)10-11-22)21(15,3)13-19(23)16-8-12-24-14-16/h5,8,12,14-15,17,19,23H,4,6-7,9-11,13H2,1-3H3/t15-,17+,19-,20-,21+/m1/s1
InChIKey IDTRFGCOGKTOTL-AQDHKIAYSA-N
Mol Weight 442.38 g/mol
Molecular Formula C21H31IO2
Exact Mass 442.136875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9cnM0XlrYKg
Name 18-IODO-15,16-EPOXY-18A-HOMO-1(10),13(16),14-ENT-HALIMATRIEN-12R-OL
Compound Number 49
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H31IO2
InChI InChI=1S/C21H31IO2/c1-15-6-7-17-18(5-4-9-20(17,2)10-11-22)21(15,3)13-19(23)16-8-12-24-14-16/h5,8,12,14-15,17,19,23H,4,6-7,9-11,13H2,1-3H3/t15-,17+,19-,20-,21+/m1/s1
InChIKey IDTRFGCOGKTOTL-AQDHKIAYSA-N
Literature Reference Author I.S.MARCOS,A.B.PEDRERO,M.J.SEXMERO,D.DIEZ,P.BASABE,N.GARCIA, R.F.MORO,H.B.BROUGHT
Literature Reference Citation J.ORG.CHEM.,68,7496(2003)
Literature Reference DOI 10.1021/jo034663l
Molecular Weight 442.380 g/mol
Solvent CDCl3
Source File Reference UWSI22456