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ARALIASAPONIN-XVI;3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GALACTOPYRANOSYL-OLEANOLIC-ACID-28-O-BETA-D-GLUCO
SpectraBase Compound ID JE2zTW2QzHu
InChI InChI=1S/C54H88O23/c1-49(2)14-16-54(48(69)77-46-41(68)38(65)34(61)27(21-57)72-46)17-15-52(6)23(24(54)18-49)8-9-30-51(5)12-11-31(50(3,4)29(51)10-13-53(30,52)7)74-47-43(76-45-40(67)37(64)33(60)26(20-56)71-45)42(35(62)28(22-58)73-47)75-44-39(66)36(63)32(59)25(19-55)70-44/h8,24-47,55-68H,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-,46+,47+,51?,52?,53?,54?/m1/s1
InChIKey MROYUZKXUGPCPD-VFDWAWDHSA-N
Mol Weight 1105.3 g/mol
Molecular Formula C54H88O23
Exact Mass 1104.571639 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C6d9kEGBvvw
Name ARALIASAPONIN-XVI;3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GALACTOPYRANOSYL-OLEANOLIC-ACID-28-O-BETA-D-GLUCO
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H88O23
InChI InChI=1S/C54H88O23/c1-49(2)14-16-54(48(69)77-46-41(68)38(65)34(61)27(21-57)72-46)17-15-52(6)23(24(54)18-49)8-9-30-51(5)12-11-31(50(3,4)29(51)10-13-53(30,52)7)74-47-43(76-45-40(67)37(64)33(60)26(20-56)71-45)42(35(62)28(22-58)73-47)75-44-39(66)36(63)32(59)25(19-55)70-44/h8,24-47,55-68H,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-,46+,47+,51?,52?,53?,54?/m1/s1
InChIKey MROYUZKXUGPCPD-VFDWAWDHSA-N
Literature Reference Author T.MIYASE,N.SUTOH,D.M.ZHANG,A.UENO
Literature Reference Citation PHYTOCHEM.,42,1123(1996)
Literature Reference DOI 10.1016/0031-9422(96)00085-4
Molecular Weight 1105.279 g/mol
Solvent C5D5N
Source File Reference UWVN2965