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TARASAPONIN-IV;3-O-BETA-[GLUCOPYRANOSYL-(1->2)-[ARABINOFURANOSYL-(1->4)]-(6-O-METHYL)-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-GLUCOPYRANOSYLESTER
SpectraBase Compound ID 4Zg3k8DgCv
InChI InChI=1S/C54H86O23/c1-49(2)15-17-54(48(68)77-46-38(65)35(62)32(59)26(21-56)72-46)18-16-52(6)23(24(54)19-49)9-10-29-51(5)13-12-30(50(3,4)28(51)11-14-53(29,52)7)73-47-41(75-45-37(64)34(61)31(58)25(20-55)70-45)39(66)40(42(76-47)43(67)69-8)74-44-36(63)33(60)27(22-57)71-44/h9,24-42,44-47,55-66H,10-22H2,1-8H3/t24?,25-,26-,27-,28?,29?,30+,31-,32-,33-,34+,35+,36+,37-,38-,39+,40+,41-,42+,44-,45+,46+,47-,51+,52-,53-,54+/m1/s1
InChIKey MPBZVIANUULHQT-UWKNVMQJSA-N
Mol Weight 1103.3 g/mol
Molecular Formula C54H86O23
Exact Mass 1102.555989 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7lEVFG2CIq7
Name TARASAPONIN-IV;3-O-BETA-[GLUCOPYRANOSYL-(1->2)-[ARABINOFURANOSYL-(1->4)]-(6-O-METHYL)-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-GLUCOPYRANOSYLESTER
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H86O23
InChI InChI=1S/C54H86O23/c1-49(2)15-17-54(48(68)77-46-38(65)35(62)32(59)26(21-56)72-46)18-16-52(6)23(24(54)19-49)9-10-29-51(5)13-12-30(50(3,4)28(51)11-14-53(29,52)7)73-47-41(75-45-37(64)34(61)31(58)25(20-55)70-45)39(66)40(42(76-47)43(67)69-8)74-44-36(63)33(60)27(22-57)71-44/h9,24-42,44-47,55-66H,10-22H2,1-8H3/t24?,25-,26-,27-,28?,29?,30+,31-,32-,33-,34+,35+,36+,37-,38-,39+,40+,41-,42+,44-,45+,46+,47-,51+,52-,53-,54+/m1/s1
InChIKey MPBZVIANUULHQT-UWKNVMQJSA-N
Literature Reference Author N.TAN,J.ZHOU,S.ZHAO
Literature Reference Citation PHYTOCHEM.,52,153(1999)
Literature Reference DOI 10.1016/S0031-9422(98)00454-3
Molecular Weight 1103.263 g/mol
Solvent C5D5N
Source File Reference UWVN1222