John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=4DX4Yc14fz7 SpectraBase Spectrum ID=I32aOUBehH4

(accessed ).
DIGITOXIGENIN-3-O-[O-BETA-GLUCOPYRANOSYL-(1->6)-O-BETA-GLUCOPYRANOSYL-(1->4)-3-O-ACETYL-BETA-DIGITOXOPYRANOSIDE]
SpectraBase Compound ID 4DX4Yc14fz7
InChI InChI=1S/C43H66O18/c1-19-32(47)27(57-20(2)45)15-31(56-19)61-38-28(16-44)59-39(37(52)35(38)50)55-18-29-33(48)34(49)36(51)40(60-29)58-23-7-10-41(3)22(14-23)5-6-26-25(41)8-11-42(4)24(9-12-43(26,42)53)21-13-30(46)54-17-21/h13,19,22-29,31-40,44,47-53H,5-12,14-18H2,1-4H3/t19-,22+,23-,24+,25-,26+,27+,28+,29+,31+,32-,33+,34-,35+,36+,37+,38+,39+,40+,41-,42+,43-/m0/s1
InChIKey SLLGYAUSKOCNPK-QJSGMDDJSA-N
Mol Weight 871.0 g/mol
Molecular Formula C43H66O18
Exact Mass 870.424916 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I32aOUBehH4
Name DIGITOXIGENIN-3-O-[O-BETA-GLUCOPYRANOSYL-(1->6)-O-BETA-GLUCOPYRANOSYL-(1->4)-3-O-ACETYL-BETA-DIGITOXOPYRANOSIDE]
Compound Number 3
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H66O18
InChI InChI=1S/C43H66O18/c1-19-32(47)27(57-20(2)45)15-31(56-19)61-38-28(16-44)59-39(37(52)35(38)50)55-18-29-33(48)34(49)36(51)40(60-29)58-23-7-10-41(3)22(14-23)5-6-26-25(41)8-11-42(4)24(9-12-43(26,42)53)21-13-30(46)54-17-21/h13,19,22-29,31-40,44,47-53H,5-12,14-18H2,1-4H3/t19-,22+,23-,24+,25-,26+,27+,28+,29+,31+,32-,33+,34-,35+,36+,37+,38+,39+,40+,41-,42+,43-/m0/s1
InChIKey SLLGYAUSKOCNPK-QJSGMDDJSA-N
Literature Reference Author J.Y.UEDA,Y.TEZUKA,A.H.BANSKOTA,Q.L.TRAN,Q.K.TRAN,I.SAIKI,S.K ADOTA
Literature Reference Citation J.NAT.PROD.,66,1427(2003)
Literature Reference DOI 10.1021/np030177h
Molecular Weight 870.986 g/mol
Solvent C5D5N
Source File Reference UWKP3220
SpectraBase Batch ID BPRP2Knhuh8