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(-)-9-O-[(-)-KAUR-15-EN-7-OXY]-CUBEBIN
SpectraBase Compound ID kvOGch8Sm4
InChI InChI=1S/C40H50O6/c1-38(2)12-4-13-39(3)35(38)11-14-40-19-27(7-10-36(39)40)29(20-40)22-42-37-30(16-26-6-9-32-34(18-26)46-24-44-32)28(21-41-37)15-25-5-8-31-33(17-25)45-23-43-31/h5-6,8-9,17-18,20,27-28,30,35-37H,4,7,10-16,19,21-24H2,1-3H3/t27-,28-,30+,35+,36-,37+,39+,40-/m0/s1
InChIKey LLVXKHLVRMNFCL-ZCTNBTQMSA-N
Mol Weight 626.8 g/mol
Molecular Formula C40H50O6
Exact Mass 626.360739 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JL0xeCY9M8j
Name (-)-9-O-[(-)-KAUR-15-EN-7-OXY]-CUBEBIN
Compound Number 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H50O6
InChI InChI=1S/C40H50O6/c1-38(2)12-4-13-39(3)35(38)11-14-40-19-27(7-10-36(39)40)29(20-40)22-42-37-30(16-26-6-9-32-34(18-26)46-24-44-32)28(21-41-37)15-25-5-8-31-33(17-25)45-23-43-31/h5-6,8-9,17-18,20,27-28,30,35-37H,4,7,10-16,19,21-24H2,1-3H3/t27-,28-,30+,35+,36-,37+,39+,40-/m0/s1
InChIKey LLVXKHLVRMNFCL-ZCTNBTQMSA-N
Literature Reference Author G.ZHANG,S.SHIMOKAWA,M.MOCHIZUKI,T.KUMAMOTO,W.NAKANISHI,T.WAT ANABE,T.ISHIKAWA,K.M
Literature Reference Citation J.NAT.PROD.,71,1167(2008)
Literature Reference DOI 10.1021/np800041t
Molecular Weight 626.833 g/mol
Sample ID 28618
Solvent CDCl3