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3-EPI-BETULINIC-ACID-3-O-BETA-D-6'-ACETYLGLUCOPYRANOSIDE-28-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)-O-BETA-D-GLUCOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID CwBG1aVFjGw
InChI InChI=1S/C56H90O23/c1-23(2)26-12-17-56(51(70)79-50-44(68)40(64)37(61)30(76-50)22-72-47-45(69)41(65)46(28(20-57)74-47)78-48-42(66)38(62)35(59)24(3)73-48)19-18-54(8)27(34(26)56)10-11-32-53(7)15-14-33(52(5,6)31(53)13-16-55(32,54)9)77-49-43(67)39(63)36(60)29(75-49)21-71-25(4)58/h24,26-50,57,59-69H,1,10-22H2,2-9H3/t24-,26+,27-,28-,29-,30-,31+,32-,33-,34-,35-,36-,37-,38+,39+,40+,41-,42+,43-,44-,45-,46-,47-,48+,49+,50+,53+,54-,55-,56+/m1/s1
InChIKey PBAUWVWTXIETDX-LHPJLBLOSA-N
Mol Weight 1131.3 g/mol
Molecular Formula C56H90O23
Exact Mass 1130.587289 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G8Eq3TY0xx2
Name 3-EPI-BETULINIC-ACID-3-O-BETA-D-6'-ACETYLGLUCOPYRANOSIDE-28-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)-O-BETA-D-GLUCOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H90O23
InChI InChI=1S/C56H90O23/c1-23(2)26-12-17-56(51(70)79-50-44(68)40(64)37(61)30(76-50)22-72-47-45(69)41(65)46(28(20-57)74-47)78-48-42(66)38(62)35(59)24(3)73-48)19-18-54(8)27(34(26)56)10-11-32-53(7)15-14-33(52(5,6)31(53)13-16-55(32,54)9)77-49-43(67)39(63)36(60)29(75-49)21-71-25(4)58/h24,26-50,57,59-69H,1,10-22H2,2-9H3/t24-,26+,27-,28-,29-,30-,31+,32-,33-,34-,35-,36-,37-,38+,39+,40+,41-,42+,43-,44-,45-,46-,47-,48+,49+,50+,53+,54-,55-,56+/m1/s1
InChIKey PBAUWVWTXIETDX-LHPJLBLOSA-N
Literature Reference Author T.V.SUNG,G.ADAM
Literature Reference Citation J.NAT.PROD.,55,503(1992)
Literature Reference DOI 10.1021/np50082a018
Molecular Weight 1131.317 g/mol
Solvent CD3OD
Source File Reference UWTS584