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#5;7-ALPHA-H-1-BENZOYL-4-HYDROXY-3-(3-HYDROXY-3-METHYLBUTHYL)-6,6,13,13-TETRAMETHYL-11-(3-METHYL-2-BUTENYL)-5-OXATETRACYCLO-[7.3.1.0(3,7)0(4,11)]-TRIDECANE-2,1
SpectraBase Compound ID 17AroLIKzk7
InChI InChI=1S/C33H44O6/c1-20(2)14-15-30-19-22-18-23-29(7,8)39-33(30,38)31(23,17-16-27(3,4)37)26(36)32(25(30)35,28(22,5)6)24(34)21-12-10-9-11-13-21/h9-14,22-23,37-38H,15-19H2,1-8H3/t22-,23+,30+,31-,32-,33+/m0/s1
InChIKey MDCWKDOFAFWMJY-QGEYTVEESA-N
Mol Weight 536.7 g/mol
Molecular Formula C33H44O6
Exact Mass 536.313789 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DKoc1gDNIo2
Name #5;7-ALPHA-H-1-BENZOYL-4-HYDROXY-3-(3-HYDROXY-3-METHYLBUTHYL)-6,6,13,13-TETRAMETHYL-11-(3-METHYL-2-BUTENYL)-5-OXATETRACYCLO-[7.3.1.0(3,7)0(4,11)]-TRIDECANE-2,1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H44O6
InChI InChI=1S/C33H44O6/c1-20(2)14-15-30-19-22-18-23-29(7,8)39-33(30,38)31(23,17-16-27(3,4)37)26(36)32(25(30)35,28(22,5)6)24(34)21-12-10-9-11-13-21/h9-14,22-23,37-38H,15-19H2,1-8H3/t22-,23+,30+,31-,32-,33+/m0/s1
InChIKey MDCWKDOFAFWMJY-QGEYTVEESA-N
Literature Reference Author F.G.CRUZ,J.S.R.TEIXEIRA
Literature Reference Citation J.BRAZ.CHEM.SOC.,15,504(2004)
Literature Reference DOI 10.1590/s0103-50532004000400010
Molecular Weight 536.709 g/mol
Solvent CDCl3
Source File Reference UWLU7030