John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=14QG74ErzOc SpectraBase Spectrum ID=4vX7TwZX5MR

(accessed ).
3-O-[[BETA-D-GALACTOPYRANOSYL-(1->6)]-O-BETA-D-GALACTOPYRANOSYL]-23(R),24(R),25-TRIHYDROXYCUCURBIT-5-ENE
SpectraBase Compound ID 14QG74ErzOc
InChI InChI=1S/C42H72O14/c1-20(17-24(44)35(51)39(4,5)52)21-13-14-42(8)27-11-9-22-23(40(27,6)15-16-41(21,42)7)10-12-28(38(22,2)3)56-37-34(50)32(48)30(46)26(55-37)19-53-36-33(49)31(47)29(45)25(18-43)54-36/h9,20-21,23-37,43-52H,10-19H2,1-8H3/t20-,21?,23?,24-,25-,26-,27?,28+,29+,30+,31+,32+,33-,34-,35-,36-,37+,40+,41-,42+/m1/s1
InChIKey MKORKSXRXHAVFX-BRIUEBTPSA-N
Mol Weight 801.0 g/mol
Molecular Formula C42H72O14
Exact Mass 800.492208 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4vX7TwZX5MR
Name 3-O-[[BETA-D-GALACTOPYRANOSYL-(1->6)]-O-BETA-D-GALACTOPYRANOSYL]-23(R),24(R),25-TRIHYDROXYCUCURBIT-5-ENE
Compound Number 1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H72O14
InChI InChI=1S/C42H72O14/c1-20(17-24(44)35(51)39(4,5)52)21-13-14-42(8)27-11-9-22-23(40(27,6)15-16-41(21,42)7)10-12-28(38(22,2)3)56-37-34(50)32(48)30(46)26(55-37)19-53-36-33(49)31(47)29(45)25(18-43)54-36/h9,20-21,23-37,43-52H,10-19H2,1-8H3/t20-,21?,23?,24-,25-,26-,27?,28+,29+,30+,31+,32+,33-,34-,35-,36-,37+,40+,41-,42+/m1/s1
InChIKey MKORKSXRXHAVFX-BRIUEBTPSA-N
Literature Reference Author L.MA,A.H.YU,L.L.SUN,W.GAO,M.M.ZHANG,Y.L.SU,H.LIU,T.F.JI,D.Z. LI
Literature Reference Citation J.AS.NAT.PROD.RES.,16,476(2014)
Literature Reference DOI 10.1080/10286020.2014.914502
Molecular Weight 801.025 g/mol
Solvent C5D5N
Source File Reference UWPA9140
SpectraBase Batch ID 53gcXhcA3Eg