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ASTERBATANOSIDE-E
SpectraBase Compound ID 3dWCZHYRvyk
InChI InChI=1S/C50H80O21/c1-22(53)65-19-27-32(56)35(59)38(62)42(68-27)70-40-25(54)17-46(4)29(47(40,5)21-52)10-11-49(7)30(46)9-8-23-24-16-45(2,3)12-14-50(24,15-13-48(23,49)6)44(64)71-43-39(63)36(60)33(57)28(69-43)20-66-41-37(61)34(58)31(55)26(18-51)67-41/h8,24-43,51-52,54-63H,9-21H2,1-7H3/t24?,25-,26+,27+,28+,29?,30?,31+,32+,33+,34-,35-,36-,37+,38+,39+,40-,41+,42-,43-,46-,47-,48+,49+,50-/m0/s1
InChIKey BLHYNFKSXOMESY-XGXRWEOESA-N
Mol Weight 1017.2 g/mol
Molecular Formula C50H80O21
Exact Mass 1016.51921 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Ui49Z2oy3K
Name ASTERBATANOSIDE-E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H80O21
InChI InChI=1S/C50H80O21/c1-22(53)65-19-27-32(56)35(59)38(62)42(68-27)70-40-25(54)17-46(4)29(47(40,5)21-52)10-11-49(7)30(46)9-8-23-24-16-45(2,3)12-14-50(24,15-13-48(23,49)6)44(64)71-43-39(63)36(60)33(57)28(69-43)20-66-41-37(61)34(58)31(55)26(18-51)67-41/h8,24-43,51-52,54-63H,9-21H2,1-7H3/t24?,25-,26+,27+,28+,29?,30?,31+,32+,33+,34-,35-,36-,37+,38+,39+,40-,41+,42-,43-,46-,47-,48+,49+,50-/m0/s1
InChIKey BLHYNFKSXOMESY-XGXRWEOESA-N
Literature Reference Author Y.SHAO,B.-N.ZHOU,K.MA,H.-M.WU
Literature Reference Citation PLANTA.MED.,61,246(1995)
Literature Reference DOI 10.1055/s-2006-958065
Molecular Weight 1017.173 g/mol
Solvent PYRIDINE-D5
Source File Reference UIAP690