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CRASSOCOLIDE_A;(1-R,3-S,4-R,13-S,14-R,7-E,11-E)-13-ACETOXY-3,4-DIHYDROXYCEMBRA-7,11,15-(17)-TRIEN-16,14-OLIDE
SpectraBase Compound ID JSzKHWqsli4
InChI InChI=1S/C22H32O6/c1-13-8-6-10-14(2)19(27-16(4)23)20-17(15(3)21(25)28-20)12-18(24)22(5,26)11-7-9-13/h9-10,17-20,24,26H,3,6-8,11-12H2,1-2,4-5H3/b13-9+,14-10+/t17-,18-,19+,20-,22-/m1/s1
InChIKey LOBTUTHTMBAWQV-CEUIWCKBSA-N
Mol Weight 392.5 g/mol
Molecular Formula C22H32O6
Exact Mass 392.219889 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 69nUXV3hne6
Name CRASSOCOLIDE_A;(1-R,3-S,4-R,13-S,14-R,7-E,11-E)-13-ACETOXY-3,4-DIHYDROXYCEMBRA-7,11,15-(17)-TRIEN-16,14-OLIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H32O6
InChI InChI=1S/C22H32O6/c1-13-8-6-10-14(2)19(27-16(4)23)20-17(15(3)21(25)28-20)12-18(24)22(5,26)11-7-9-13/h9-10,17-20,24,26H,3,6-8,11-12H2,1-2,4-5H3/b13-9+,14-10+/t17-,18-,19+,20-,22-/m1/s1
InChIKey LOBTUTHTMBAWQV-CEUIWCKBSA-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 392.492 g/mol
Solvent CDCl3
Source File Reference UWMZ17189