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CRASSOCOLIDE_C;(1-R,3-S,4-R,14-S,7-E,11-E)-3-ACETOXY-4-HYDROXYCEMBRA-7,11,15-(17)-TRIEN-16,14-OLIDE
SpectraBase Compound ID 80XDjOCylXA
InChI InChI=1S/C22H32O5/c1-14-8-6-9-15(2)12-19-18(16(3)21(24)27-19)13-20(26-17(4)23)22(5,25)11-7-10-14/h9-10,18-20,25H,3,6-8,11-13H2,1-2,4-5H3/b14-10+,15-9+/t18-,19+,20-,22-/m1/s1
InChIKey MYSVBLKFHOXPIV-HLDLJMEBSA-N
Mol Weight 376.5 g/mol
Molecular Formula C22H32O5
Exact Mass 376.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1mNrixQyABr
Name CRASSOCOLIDE_C;(1-R,3-S,4-R,14-S,7-E,11-E)-3-ACETOXY-4-HYDROXYCEMBRA-7,11,15-(17)-TRIEN-16,14-OLIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H32O5
InChI InChI=1S/C22H32O5/c1-14-8-6-9-15(2)12-19-18(16(3)21(24)27-19)13-20(26-17(4)23)22(5,25)11-7-10-14/h9-10,18-20,25H,3,6-8,11-13H2,1-2,4-5H3/b14-10+,15-9+/t18-,19+,20-,22-/m1/s1
InChIKey MYSVBLKFHOXPIV-HLDLJMEBSA-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 376.493 g/mol
Solvent CDCl3
Source File Reference UWMZ17191