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#5;OTOGIRININ-E;8-BENZOYL-6,10-DI-(3-METHYL-2-BUTENYL)-3-[5-(1-HYDROXY-1-METHYLETHYL)-2-METHYLTETRAHYDROFURAN-2-YL]-4-OXATRICYCLO-[6,3,1,0(1,5)]-DODECANE-7,12

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#5;OTOGIRININ-E;8-BENZOYL-6,10-DI-(3-METHYL-2-BUTENYL)-3-[5-(1-HYDROXY-1-METHYLETHYL)-2-METHYLTETRAHYDROFURAN-2-YL]-4-OXATRICYCLO-[6,3,1,0(1,5)]-DODECANE-7,12
SpectraBase Compound ID 5IRuBEoSUuy
InChI InChI=1S/C38H50O6/c1-23(2)15-17-26-21-37-22-29(36(9)20-19-28(44-36)35(7,8)42)43-32(37)27(18-16-24(3)4)31(40)38(33(37)41,34(26,5)6)30(39)25-13-11-10-12-14-25/h10-16,26,28-29,42H,17-22H2,1-9H3/t26-,28?,29-,36?,37+,38+/m1/s1
InChIKey SQZHBAKXXWPYAL-MMBGVPSVSA-N
Mol Weight 602.8 g/mol
Molecular Formula C38H50O6
Exact Mass 602.360739 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9uy2jfnyWyc
Name #5;OTOGIRININ-E;8-BENZOYL-6,10-DI-(3-METHYL-2-BUTENYL)-3-[5-(1-HYDROXY-1-METHYLETHYL)-2-METHYLTETRAHYDROFURAN-2-YL]-4-OXATRICYCLO-[6,3,1,0(1,5)]-DODECANE-7,12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H50O6
InChI InChI=1S/C38H50O6/c1-23(2)15-17-26-21-37-22-29(36(9)20-19-28(44-36)35(7,8)42)43-32(37)27(18-16-24(3)4)31(40)38(33(37)41,34(26,5)6)30(39)25-13-11-10-12-14-25/h10-16,26,28-29,42H,17-22H2,1-9H3/t26-,28?,29-,36?,37+,38+/m1/s1
InChIKey SQZHBAKXXWPYAL-MMBGVPSVSA-N
Literature Reference Author Y.ISHIDA,O.SHIROTA,S.SEKITA,K.SOMEYA,F.TOKITA,T.NAKANE,M.KUR OYANAGI
Literature Reference Citation CHEM.PHARM.BULL.,58,336(2010)
Literature Reference DOI 10.1248/cpb.58.336
Molecular Weight 602.811 g/mol
Sample ID 3434
Solvent CDCl3