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3-O-BETA-[RHAMNOPYRANOSYL-(1->3)-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-[XYLOPYRANOSYL-(1->2)-GLUCOPYRANOSYL]-ESTER
SpectraBase Compound ID 66cErB94Pkv
InChI InChI=1S/C53H84O22/c1-22-30(56)33(59)36(62)44(69-22)72-39-37(63)40(42(65)66)73-45(38(39)64)71-29-12-13-50(6)27(49(29,4)5)11-14-52(8)28(50)10-9-23-24-19-48(2,3)15-17-53(24,18-16-51(23,52)7)47(67)75-46-41(34(60)32(58)26(20-54)70-46)74-43-35(61)31(57)25(55)21-68-43/h9,22,24-41,43-46,54-64H,10-21H2,1-8H3,(H,65,66)/t22-,24?,25+,26+,27?,28?,29-,30-,31-,32+,33+,34-,35+,36+,37-,38+,39-,40-,41+,43-,44-,45+,46-,50-,51+,52+,53-/m0/s1
InChIKey VAPKQMXDFDAIIA-CECKNZPXSA-N
Mol Weight 1073.2 g/mol
Molecular Formula C53H84O22
Exact Mass 1072.545424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KnT9WCImNfg
Name 3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-D-GLUCURONOPYRANOSYL]-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL]-3-BETA-HYDROXYOLEAN-12-EN-28-OATE;CO
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C53H84O22
InChI InChI=1S/C53H84O22/c1-22-30(56)33(59)36(62)44(69-22)72-39-37(63)40(42(65)66)73-45(38(39)64)71-29-12-13-50(6)27(49(29,4)5)11-14-52(8)28(50)10-9-23-24-19-48(2,3)15-17-53(24,18-16-51(23,52)7)47(67)75-46-41(34(60)32(58)26(20-54)70-46)74-43-35(61)31(57)25(55)21-68-43/h9,22,24-41,43-46,54-64H,10-21H2,1-8H3,(H,65,66)/t22-,24?,25+,26+,27?,28?,29-,30-,31-,32+,33+,34-,35+,36+,37-,38+,39-,40-,41+,43-,44-,45+,46-,50-,51+,52+,53-/m0/s1
InChIKey VAPKQMXDFDAIIA-CECKNZPXSA-N
Literature Reference Author O.P.SATI,S.BAHUGUNA,S.UNIYAL,J.SAKAKIBARA,T.KAIYA,A.NAKAMURA
Literature Reference Citation J.NAT.PROD.,53,466(1990)
Literature Reference DOI 10.1021/np50068a029
Molecular Weight 1073.237 g/mol
Solvent CD3OD
Source File Reference UWCS13256