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XTLKVXIDQXFPPS-YIYLITLGSA-N
SpectraBase Compound ID K6tN5plGqIo
InChI InChI=1S/C27H40O4/c1-18(2)9-7-13-26(5)14-8-10-23-22(26)12-11-19(3)27(23,6)16-24(31-20(4)28)21-15-25(29)30-17-21/h10,15,19,22,24H,1,7-9,11-14,16-17H2,2-6H3/t19-,22+,24-,26+,27+/m1/s1
InChIKey XTLKVXIDQXFPPS-YIYLITLGSA-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 Bkwjh521zqw
Name 18R-ACETOXY-2,10,19(21)-CLADOCORATRIEN-22(20)-OLIDE
Compound Number 54
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H40O4
InChI InChI=1S/C27H40O4/c1-18(2)9-7-13-26(5)14-8-10-23-22(26)12-11-19(3)27(23,6)16-24(31-20(4)28)21-15-25(29)30-17-21/h10,15,19,22,24H,1,7-9,11-14,16-17H2,2-6H3/t19-,22+,24-,26+,27+/m1/s1
InChIKey XTLKVXIDQXFPPS-YIYLITLGSA-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 428.612 g/mol
Solvent CDCl3
Source File Reference UWSI22468