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POTENTILLIN
SpectraBase Compound ID B6vHeK5DbLs
InChI InChI=1S/C41H28O26/c42-13-1-8(2-14(43)24(13)48)36(57)67-41-35-34(65-39(60)11-5-17(46)27(51)31(55)22(11)23-12(40(61)66-35)6-18(47)28(52)32(23)56)33-19(63-41)7-62-37(58)9-3-15(44)25(49)29(53)20(9)21-10(38(59)64-33)4-16(45)26(50)30(21)54/h1-6,19,33-35,41-56H,7H2/t19-,33-,34+,35-,41-/m1/s1
InChIKey SWRFKGRMQVLMKA-MCUYVTBYSA-N
Mol Weight 936.6 g/mol
Molecular Formula C41H28O26
Exact Mass 936.086881 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bh5xVsmpbFD
Name POTENTILLIN
Compound Number X
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H28O26
InChI InChI=1S/C41H28O26/c42-13-1-8(2-14(43)24(13)48)36(57)67-41-35-34(65-39(60)11-5-17(46)27(51)31(55)22(11)23-12(40(61)66-35)6-18(47)28(52)32(23)56)33-19(63-41)7-62-37(58)9-3-15(44)25(49)29(53)20(9)21-10(38(59)64-33)4-16(45)26(50)30(21)54/h1-6,19,33-35,41-56H,7H2/t19-,33-,34+,35-,41-/m1/s1
InChIKey SWRFKGRMQVLMKA-MCUYVTBYSA-N
Literature Reference Author D.N.OLENNIKOV,N.I.KASHCHENKO,N.K.CHIRIKOVA,S.S.KUZMINA
Literature Reference Citation MOLECULES,20,224(2015)
Literature Reference DOI 10.3390/molecules20010224
Molecular Weight 936.658 g/mol
Solvent CD3OD
Source File Reference UWPA2012