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VATICANOL-A-PERMETHYLETHER

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VATICANOL-A-PERMETHYLETHER
SpectraBase Compound ID FNcik6UpGG4
InChI InChI=1S/C50H48O9/c1-51-31-15-9-27(10-16-31)41-43(30-21-34(54-4)23-35(22-30)55-5)46-39(58-8)26-40-47-45(50(59-40)29-13-19-33(53-3)20-14-29)37-24-36(56-6)25-38(57-7)44(37)42(48(41)49(46)47)28-11-17-32(52-2)18-12-28/h9-26,41-43,45,48,50H,1-8H3/t41-,42-,43-,45-,48+,50+/m0/s1
InChIKey SSUSAANYAPRLRT-OLOMIHFUSA-N
Mol Weight 792.9 g/mol
Molecular Formula C50H48O9
Exact Mass 792.329833 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lhd0FsjE7DT
Name VATICANOL-A-PERMETHYLETHER
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H48O9
InChI InChI=1S/C50H48O9/c1-51-31-15-9-27(10-16-31)41-43(30-21-34(54-4)23-35(22-30)55-5)46-39(58-8)26-40-47-45(50(59-40)29-13-19-33(53-3)20-14-29)37-24-36(56-6)25-38(57-7)44(37)42(48(41)49(46)47)28-11-17-32(52-2)18-12-28/h9-26,41-43,45,48,50H,1-8H3/t41-,42-,43-,45-,48+,50+/m0/s1
InChIKey SSUSAANYAPRLRT-OLOMIHFUSA-N
Literature Reference Author T.TANAKA,T.ITO,K.NAKAYA,M.IINUMA,S.RISWAN
Literature Reference Citation PHYTOCHEM.,54,63(2000)
Literature Reference DOI 10.1016/S0031-9422(00)00026-1
Molecular Weight 792.926 g/mol
Solvent ACETONE-D6
Source File Reference UWLU1217