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3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[ARABINOPYRANOSYL-(1->4)]-XYLOPYRANOSYL-(1->3)-[RHAMNOPYRANOSYL-(1->4)]-GLUCURONOPYRANOSYL]-GYPSOGENIN
SpectraBase Compound ID 9dUeQaPNItU
InChI InChI=1S/C58H90O27/c1-23-32(62)36(66)39(69)48(78-23)84-44-42(82-51-43(83-49-40(70)37(67)34(64)27(19-59)79-49)35(65)28(21-77-51)80-47-38(68)33(63)26(61)20-76-47)41(71)50(85-45(44)46(72)73)81-31-11-12-54(4)29(55(31,5)22-60)10-13-57(7)30(54)9-8-24-25-18-53(2,3)14-16-58(25,52(74)75)17-15-56(24,57)6/h8,22-23,25-45,47-51,59,61-71H,9-21H2,1-7H3,(H,72,73)(H,74,75)/t23-,25?,26+,27+,28+,29?,30?,31-,32-,33+,34-,35-,36+,37-,38-,39+,40+,41+,42+,43+,44-,45-,47+,48-,49-,50+,51-,54-,55-,56+,57+,58-/m0/s1
InChIKey HKCRMVFCWPZSLQ-WVIPXGTISA-N
Mol Weight 1219.3 g/mol
Molecular Formula C58H90O27
Exact Mass 1218.566948 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 26Vo2SGqYg4
Name 3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[ARABINOPYRANOSYL-(1->4)]-XYLOPYRANOSYL-(1->3)-[RHAMNOPYRANOSYL-(1->4)]-GLUCURONOPYRANOSYL]-GYPSOGENIN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H90O27
InChI InChI=1S/C58H90O27/c1-23-32(62)36(66)39(69)48(78-23)84-44-42(82-51-43(83-49-40(70)37(67)34(64)27(19-59)79-49)35(65)28(21-77-51)80-47-38(68)33(63)26(61)20-76-47)41(71)50(85-45(44)46(72)73)81-31-11-12-54(4)29(55(31,5)22-60)10-13-57(7)30(54)9-8-24-25-18-53(2,3)14-16-58(25,52(74)75)17-15-56(24,57)6/h8,22-23,25-45,47-51,59,61-71H,9-21H2,1-7H3,(H,72,73)(H,74,75)/t23-,25?,26+,27+,28+,29?,30?,31-,32-,33+,34-,35-,36+,37-,38-,39+,40+,41+,42+,43+,44-,45-,47+,48-,49-,50+,51-,54-,55-,56+,57+,58-/m0/s1
InChIKey HKCRMVFCWPZSLQ-WVIPXGTISA-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 1219.336 g/mol
Solvent Unknown
Source File Reference UWVN1094