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POLYSCIOSIDE-D;3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-BETA-D-GLUCOPYRANOSI
SpectraBase Compound ID 2b4BxiOCuW1
InChI InChI=1S/C54H86O24/c1-49(2)14-16-54(48(70)78-46-38(66)35(63)32(60)26(21-57)73-46)17-15-52(6)22(23(54)18-49)8-9-28-51(5)12-11-29(50(3,4)27(51)10-13-53(28,52)7)74-47-41(76-45-37(65)34(62)31(59)25(20-56)72-45)39(67)40(42(77-47)43(68)69)75-44-36(64)33(61)30(58)24(19-55)71-44/h8,23-42,44-47,55-67H,9-21H2,1-7H3,(H,68,69)/t23?,24-,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-/m0/s1
InChIKey LEEYYHJQGXOXHR-VTDLHYAKSA-N
Mol Weight 1119.3 g/mol
Molecular Formula C54H86O24
Exact Mass 1118.550904 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2fkM3AcbDnA
Name POLYSCIOSIDE-D;3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-BETA-D-GLUCOPYRANOSI
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H86O24
InChI InChI=1S/C54H86O24/c1-49(2)14-16-54(48(70)78-46-38(66)35(63)32(60)26(21-57)73-46)17-15-52(6)22(23(54)18-49)8-9-28-51(5)12-11-29(50(3,4)27(51)10-13-53(28,52)7)74-47-41(76-45-37(65)34(62)31(59)25(20-56)72-45)39(67)40(42(77-47)43(68)69)75-44-36(64)33(61)30(58)24(19-55)71-44/h8,23-42,44-47,55-67H,9-21H2,1-7H3,(H,68,69)/t23?,24-,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-/m0/s1
InChIKey LEEYYHJQGXOXHR-VTDLHYAKSA-N
Literature Reference Author V.D.HUAN,S.YAMAMURA,K.OHTANI,R.KASAI,K.YAMASAKI,N.T.NHAM,H.M .CHAU
Literature Reference Citation PHYTOCHEM.,47,451(1998)
Literature Reference DOI 10.1016/S0031-9422(97)00618-3
Molecular Weight 1119.262 g/mol
Solvent C5D5N
Source File Reference UWMS193