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2''-O-ACETYL-30-(ALPHA-L-ARABINOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL)-2-BETA,17,23-TRIHYDROXY-28-NOR-OLEAN-12-EN-16-ONE
SpectraBase Compound ID DBBYmrTAGIm
InChI InChI=1S/C47H74O19/c1-21(49)63-37-34(57)33(56)27(19-62-39-35(58)31(54)25(51)17-60-39)64-41(37)65-36-32(55)26(52)18-61-40(36)66-38-24(50)15-43(4)28(44(38,5)20-48)10-11-45(6)29(43)9-8-22-23-14-42(2,3)12-13-47(23,59)30(53)16-46(22,45)7/h8,23-29,31-41,48,50-52,54-59H,9-20H2,1-7H3/t23?,24-,25-,26-,27+,28?,29?,31-,32-,33+,34-,35+,36+,37+,38-,39-,40-,41-,43-,44-,45+,46+,47+/m0/s1
InChIKey MVJREIJYDJWWHR-CETQHXGDSA-N
Mol Weight 943.1 g/mol
Molecular Formula C47H74O19
Exact Mass 942.48243 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ASyHmVuWqg
Name 2''-O-ACETYL-30-(ALPHA-L-ARABINOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL)-2-BETA,17,23-TRIHYDROXY-28-NOR-OLEAN-12-EN-16-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H74O19
InChI InChI=1S/C47H74O19/c1-21(49)63-37-34(57)33(56)27(19-62-39-35(58)31(54)25(51)17-60-39)64-41(37)65-36-32(55)26(52)18-61-40(36)66-38-24(50)15-43(4)28(44(38,5)20-48)10-11-45(6)29(43)9-8-22-23-14-42(2,3)12-13-47(23,59)30(53)16-46(22,45)7/h8,23-29,31-41,48,50-52,54-59H,9-20H2,1-7H3/t23?,24-,25-,26-,27+,28?,29?,31-,32-,33+,34-,35+,36+,37+,38-,39-,40-,41-,43-,44-,45+,46+,47+/m0/s1
InChIKey MVJREIJYDJWWHR-CETQHXGDSA-N
Literature Reference Author D.E.ROWAN,R.H.NEWMAN
Literature Reference Citation PHYTOCHEM.,23,639(1984)
Literature Reference DOI 10.1016/S0031-9422(00)80398-2
Molecular Weight 943.093 g/mol
Solvent PYRIDINE-D5
Source File Reference UWBK382