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INDICASAPONIN-B;3-O-[[BETA-D-GLUCOPYRANOSYL-(1->2)]-[ALPHA-L-ARABINOPYRANOSYL-(1->3)]-ALPHA-L-ARABINOPYRANOSYL]-OLEANOLIC-ACID-28-O-[BETA-D-
SpectraBase Compound ID 7mOwGNccDis
InChI InChI=1S/C52H84O21/c1-47(2)14-16-52(46(65)73-44-39(64)36(61)34(59)28(20-54)69-44)17-15-50(6)23(24(52)18-47)8-9-30-49(5)12-11-31(48(3,4)29(49)10-13-51(30,50)7)70-45-41(72-43-38(63)35(60)33(58)27(19-53)68-43)40(26(56)22-67-45)71-42-37(62)32(57)25(55)21-66-42/h8,24-45,53-64H,9-22H2,1-7H3/t24-,25-,26-,27-,28+,29-,30+,31?,32-,33-,34+,35+,36-,37+,38-,39+,40-,41+,42-,43+,44-,45-,49-,50+,51+,52-/m0/s1
InChIKey UCGMGFLTNMXEHT-KSFSAADUSA-N
Mol Weight 1045.2 g/mol
Molecular Formula C52H84O21
Exact Mass 1044.55051 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AB4p7syv7to
Name INDICASAPONIN-B;3-O-[[BETA-D-GLUCOPYRANOSYL-(1->2)]-[ALPHA-L-ARABINOPYRANOSYL-(1->3)]-ALPHA-L-ARABINOPYRANOSYL]-OLEANOLIC-ACID-28-O-[BETA-D-
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H84O21
InChI InChI=1S/C52H84O21/c1-47(2)14-16-52(46(65)73-44-39(64)36(61)34(59)28(20-54)69-44)17-15-50(6)23(24(52)18-47)8-9-30-49(5)12-11-31(48(3,4)29(49)10-13-51(30,50)7)70-45-41(72-43-38(63)35(60)33(58)27(19-53)68-43)40(26(56)22-67-45)71-42-37(62)32(57)25(55)21-66-42/h8,24-45,53-64H,9-22H2,1-7H3/t24-,25-,26-,27-,28+,29-,30+,31?,32-,33-,34+,35+,36-,37+,38-,39+,40-,41+,42-,43+,44-,45-,49-,50+,51+,52-/m0/s1
InChIKey UCGMGFLTNMXEHT-KSFSAADUSA-N
Literature Reference Author K.H.SHAKER,M.BERNHARDT,M.H.A.ELGAMAL,K.EIFERT
Literature Reference Citation PHYTOCHEM.,51,1049(1999)
Literature Reference DOI 10.1016/S0031-9422(98)00750-X
Molecular Weight 1045.226 g/mol
Solvent CD3OD
Source File Reference UWVN11015