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ASSUFULVENAL;(-)-REL-(10R)-3-((10R,E)-1-BETA,11-CYClOGUAI-4-EN-15-YLIDENE)-GUAIA-1,4,11-TRIEN-15-AL
SpectraBase Compound ID 1cUuxd1WV2F
InChI InChI=1S/C30H40O/c1-18(2)21-9-7-19(3)25-15-23(27(17-31)26(25)14-21)13-22-11-12-30-20(4)8-10-24(16-28(22)30)29(30,5)6/h13,15,17,19-21,24H,1,7-12,14,16H2,2-6H3/b23-13+/t19-,20-,21-,24-,30+/m1/s1
InChIKey MEIMTLGZEJLCSF-ZHLJVWIKSA-N
Mol Weight 416.6 g/mol
Molecular Formula C30H40O
Exact Mass 416.307916 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IklpeX1M5NO
Name ASSUFULVENAL;(-)-REL-(10R)-3-((10R,E)-1-BETA,11-CYClOGUAI-4-EN-15-YLIDENE)-GUAIA-1,4,11-TRIEN-15-AL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H40O
InChI InChI=1S/C30H40O/c1-18(2)21-9-7-19(3)25-15-23(27(17-31)26(25)14-21)13-22-11-12-30-20(4)8-10-24(16-28(22)30)29(30,5)6/h13,15,17,19-21,24H,1,7-12,14,16H2,2-6H3/b23-13+/t19-,20-,21-,24-,30+/m1/s1
InChIKey MEIMTLGZEJLCSF-ZHLJVWIKSA-N
Literature Reference Author H.ACHENBACH,G.BENIRSCHKE,J.LANGE
Literature Reference Citation J.NAT.PROD.,59,93(1996)
Literature Reference DOI 10.1021/np9600255
Molecular Weight 416.647 g/mol
Solvent CDCl3
Source File Reference UWVP2534