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PREMNAODOROSIDE-E
SpectraBase Compound ID 3ogoHfgsCDw
InChI InChI=1S/C42H62O20/c1-17(8-9-55-37(53)23-15-57-39(29-19(3)25(45)10-21(23)29)61-41-35(51)33(49)31(47)27(12-43)59-41)6-5-7-18(2)14-56-38(54)24-16-58-40(30-20(4)26(46)11-22(24)30)62-42-36(52)34(50)32(48)28(13-44)60-42/h15-18,21-22,25-36,39-52H,3-14H2,1-2H3/t17?,18?,21-,22-,25+,26+,27+,28+,29-,30-,31+,32+,33-,34-,35+,36+,39+,40+,41-,42-/m1/s1
InChIKey UPBUMUQEFOPAAY-PZPNEOKDSA-N
Mol Weight 886.9 g/mol
Molecular Formula C42H62O20
Exact Mass 886.383444 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LAp69AxSTKF
Name PREMNAODOROSIDE-E
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H62O20
InChI InChI=1S/C42H62O20/c1-17(8-9-55-37(53)23-15-57-39(29-19(3)25(45)10-21(23)29)61-41-35(51)33(49)31(47)27(12-43)59-41)6-5-7-18(2)14-56-38(54)24-16-58-40(30-20(4)26(46)11-22(24)30)62-42-36(52)34(50)32(48)28(13-44)60-42/h15-18,21-22,25-36,39-52H,3-14H2,1-2H3/t17?,18?,21-,22-,25+,26+,27+,28+,29-,30-,31+,32+,33-,34-,35+,36+,39+,40+,41-,42-/m1/s1
InChIKey UPBUMUQEFOPAAY-PZPNEOKDSA-N
Literature Reference Author H.SUDO,A.TAKUSHI,E.HIRATA,T.IDE,H.OTSUKA,Y.TAKEDA
Literature Reference Citation PHYTOCHEM.,52,1495(1999)
Literature Reference DOI 10.1016/S0031-9422(99)00218-6
Molecular Weight 886.942 g/mol
Solvent CD3OD
Source File Reference UWVN218