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3-BETA-[(O-BETA-D-GLUCOPYRANOSYL-(1->3)-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL)-OXY]-LUP-20-(29)-EN-28-OIC_ACID
SpectraBase Compound ID H8HQ0Tkx3Nb
InChI InChI=1S/C47H76O16/c1-21(2)23-11-16-47(42(56)57)18-17-45(7)24(30(23)47)9-10-28-44(6)14-13-29(43(4,5)27(44)12-15-46(28,45)8)62-39-35(53)32(50)26(20-58-39)61-41-37(55)38(33(51)25(19-48)60-41)63-40-36(54)34(52)31(49)22(3)59-40/h22-41,48-55H,1,9-20H2,2-8H3,(H,56,57)/t22-,23-,24+,25+,26-,27-,28+,29-,30+,31-,32-,33+,34+,35+,36+,37+,38-,39-,40-,41-,44-,45+,46+,47-/m0/s1
InChIKey NSQUHXMPVBYOPY-BFAXTWQDSA-N
Mol Weight 897.1 g/mol
Molecular Formula C47H76O16
Exact Mass 896.513336 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HzqCZ3jW86G
Name 3-BETA-[(O-BETA-D-GLUCOPYRANOSYL-(1->3)-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL)-OXY]-LUP-20-(29)-EN-28-OIC_ACID
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H76O16
InChI InChI=1S/C47H76O16/c1-21(2)23-11-16-47(42(56)57)18-17-45(7)24(30(23)47)9-10-28-44(6)14-13-29(43(4,5)27(44)12-15-46(28,45)8)62-39-35(53)32(50)26(20-58-39)61-41-37(55)38(33(51)25(19-48)60-41)63-40-36(54)34(52)31(49)22(3)59-40/h22-41,48-55H,1,9-20H2,2-8H3,(H,56,57)/t22-,23-,24+,25+,26-,27-,28+,29-,30+,31-,32-,33+,34+,35+,36+,37+,38-,39-,40-,41-,44-,45+,46+,47-/m0/s1
InChIKey NSQUHXMPVBYOPY-BFAXTWQDSA-N
Literature Reference Author S.C.BANG,Y.KIM,J.H.LEE,B.Z.AHN
Literature Reference Citation J.NAT.PROD.,68,268(2005)
Literature Reference DOI 10.1021/np049813h
Molecular Weight 897.111 g/mol
Solvent C5D5N
Source File Reference UWMZ8855