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(1R,3E,7E,11S,12S)-3,7,18-Dolabellatriene
SpectraBase Compound ID D3u9iAv0FOW
InChI InChI=1S/C20H32/c1-15(2)18-12-14-20(5)13-11-17(4)8-6-7-16(3)9-10-19(18)20/h7,11,18-19H,1,6,8-10,12-14H2,2-5H3/b16-7+,17-11+/t18-,19+,20+/m1/s1
InChIKey KZHMFCYCMBPVGZ-JFZLUAFOSA-N
Mol Weight 272.5 g/mol
Molecular Formula C20H32
Exact Mass 272.250401 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Cysufs0CK5
Name (1-R,3-E,7-E,11-S,12-S)-3,7,18-DOLABELLATRIENE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H32
InChI InChI=1S/C20H32/c1-15(2)18-12-14-20(5)13-11-17(4)8-6-7-16(3)9-10-19(18)20/h7,11,18-19H,1,6,8-10,12-14H2,2-5H3/b16-7+,17-11+/t18-,19+,20+/m1/s1
InChIKey KZHMFCYCMBPVGZ-JFZLUAFOSA-N
Literature Reference Author E.IOANNOU,A.QUESADA,M.M.RAHMAN,S.GIBBONS,C.VAGIAS,V.ROUSSIS
Literature Reference Citation J.NAT.PROD.,74,213(2011)
Literature Reference DOI 10.1021/np1006586
Molecular Weight 272.474 g/mol
Sample ID 37548
Solvent CDCl3