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CRASSUMOLIDE-E;[1R*,14S*,(3E,7E,11E)]-CEMBRA-3,7,11,15(17)-TETRAEN-14,16-OLIDE-12-CARBOXYLIC-ACID
SpectraBase Compound ID GeiEbJyyJri
InChI InChI=1S/C20H26O4/c1-13-6-4-7-14(2)10-11-17-15(3)20(23)24-18(17)12-16(19(21)22)9-5-8-13/h6,9-10,17-18H,3-5,7-8,11-12H2,1-2H3,(H,21,22)/b13-6+,14-10+,16-9+/t17-,18+/m1/s1
InChIKey WBAJRHMNEUJKGC-FKIRYQEBSA-N
Mol Weight 330.42 g/mol
Molecular Formula C20H26O4
Exact Mass 330.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9FKpZUTLHkR
Name CRASSUMOLIDE-E;[1R*,14S*,(3E,7E,11E)]-CEMBRA-3,7,11,15(17)-TETRAEN-14,16-OLIDE-12-CARBOXYLIC-ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H26O4
InChI InChI=1S/C20H26O4/c1-13-6-4-7-14(2)10-11-17-15(3)20(23)24-18(17)12-16(19(21)22)9-5-8-13/h6,9-10,17-18H,3-5,7-8,11-12H2,1-2H3,(H,21,22)/b13-6+,14-10+,16-9+/t17-,18+/m1/s1
InChIKey WBAJRHMNEUJKGC-FKIRYQEBSA-N
Literature Reference Author I.BONNARD,S.B.JHAUMEER-LAULLOO,N.BONTEMPS,B.BANAIGS,M.AKNIN
Literature Reference Citation MAR.DRUGS,8,359(2010)
Literature Reference DOI 10.3390/md8020359
Molecular Weight 330.424 g/mol
Source File Reference UWIR6204