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23-HYDROXY-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 70whp3V0Mkd
InChI InChI=1S/C47H76O17/c1-21(2)23-10-15-47(42(57)58)17-16-45(6)24(30(23)47)8-9-28-43(4)13-12-29(44(5,20-49)27(43)11-14-46(28,45)7)63-39-35(54)32(51)26(19-59-39)62-41-37(56)38(33(52)25(18-48)61-41)64-40-36(55)34(53)31(50)22(3)60-40/h22-41,48-56H,1,8-20H2,2-7H3,(H,57,58)/t22-,23-,24+,25+,26-,27+,28+,29-,30+,31-,32-,33+,34+,35+,36+,37+,38-,39-,40-,41-,43-,44-,45+,46+,47-/m0/s1
InChIKey LRTDJNLVVQTTAA-ZXTKITBTSA-N
Mol Weight 913.1 g/mol
Molecular Formula C47H76O17
Exact Mass 912.508251 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HuWQxwMzKR2
Name 23-HYDROXY-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 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H76O17
InChI InChI=1S/C47H76O17/c1-21(2)23-10-15-47(42(57)58)17-16-45(6)24(30(23)47)8-9-28-43(4)13-12-29(44(5,20-49)27(43)11-14-46(28,45)7)63-39-35(54)32(51)26(19-59-39)62-41-37(56)38(33(52)25(18-48)61-41)64-40-36(55)34(53)31(50)22(3)60-40/h22-41,48-56H,1,8-20H2,2-7H3,(H,57,58)/t22-,23-,24+,25+,26-,27+,28+,29-,30+,31-,32-,33+,34+,35+,36+,37+,38-,39-,40-,41-,43-,44-,45+,46+,47-/m0/s1
InChIKey LRTDJNLVVQTTAA-ZXTKITBTSA-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 913.110 g/mol
Solvent C5D5N
Source File Reference UWMZ8854