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CRASSOCOLIDE_D;(1-R,3-S,4-R,14-S,7-E,11-E)-3,4-DIHYDROXYCEMBRA-7,11,15-(17)-TRIEN-16,14-OLIDE
SpectraBase Compound ID J1zTECvmink
InChI InChI=1S/C20H30O4/c1-13-7-5-8-14(2)11-17-16(15(3)19(22)24-17)12-18(21)20(4,23)10-6-9-13/h8-9,16-18,21,23H,3,5-7,10-12H2,1-2,4H3/b13-9+,14-8+/t16-,17+,18-,20-/m1/s1
InChIKey HZAPTPBMBOIGCM-ROAYPOSUSA-N
Mol Weight 334.46 g/mol
Molecular Formula C20H30O4
Exact Mass 334.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5gVsVbP43nu
Name CRASSOCOLIDE_D;(1-R,3-S,4-R,14-S,7-E,11-E)-3,4-DIHYDROXYCEMBRA-7,11,15-(17)-TRIEN-16,14-OLIDE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H30O4
InChI InChI=1S/C20H30O4/c1-13-7-5-8-14(2)11-17-16(15(3)19(22)24-17)12-18(21)20(4,23)10-6-9-13/h8-9,16-18,21,23H,3,5-7,10-12H2,1-2,4H3/b13-9+,14-8+/t16-,17+,18-,20-/m1/s1
InChIKey HZAPTPBMBOIGCM-ROAYPOSUSA-N
Literature Reference Author H.C.HUANG,A.F.AHMED,J.H.SU,C.H.CHAO,Y.C.WU,M.Y.CHIANG,J.H.SH EU
Literature Reference Citation J.NAT.PROD.,69,1554(2006)
Literature Reference DOI 10.1021/np060182w
Molecular Weight 334.456 g/mol
Solvent CDCl3
Source File Reference UWMZ17192