![#3;POLYGALASAPONIN-LIII;3-O-BETA-D-GLUCOPYRANOSYL-PRESENEGENIN-28-O-ALPHA-L-ARABINOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-[BETA-D-APIOFURANOSYL-(1->3)]-A](/api/spectrum/EtlFACtf8Na/structure.png?h=300&w=458 "#3;POLYGALASAPONIN-LIII;3-O-BETA-D-GLUCOPYRANOSYL-PRESENEGENIN-28-O-ALPHA-L-ARABINOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-[BETA-D-APIOFURANOSYL-(1->3)]-A")
| SpectraBase Compound ID | 7Ncvvdn4lRc |
|---|---|
| InChI | InChI=1S/C81H120O39/c1-33-57(111-36(4)85)51(93)54(96)68(108-33)117-62-59(113-47(89)18-13-37-11-14-38(104-10)15-12-37)35(3)110-71(63(62)118-70-56(98)61(116-72-64(99)81(103,31-84)32-107-72)58(34(2)109-70)114-67-55(97)60(43(88)29-106-67)115-66-52(94)48(90)42(87)28-105-66)120-74(102)79-22-21-75(5,6)25-40(79)39-16-17-45-76(7)26-41(86)65(119-69-53(95)50(92)49(91)44(27-82)112-69)78(9,73(100)101)46(76)19-20-77(45,8)80(39,30-83)24-23-79/h11-16,18,33-35,40-46,48-72,82-84,86-88,90-99,103H,17,19-32H2,1-10H3,(H,100,101)/b18-13+/t33-,34+,35-,40+,41+,42+,43-,44-,45-,46-,48+,49-,50+,51-,52-,53-,54+,55-,56-,57-,58+,59+,60+,61+,62+,63-,64+,65+,66+,67+,68-,69+,70+,71+,72+,76-,77-,78+,79+,80+,81-/m1/s1 |
| InChIKey | FNRGAHMIRSYDAC-VHCLQQAYSA-N |
| Mol Weight | 1717.8 g/mol |
| Molecular Formula | C81H120O39 |
| Exact Mass | 1716.740674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EtlFACtf8Na |
|---|---|
| Name | #3;POLYGALASAPONIN-LIII;3-O-BETA-D-GLUCOPYRANOSYL-PRESENEGENIN-28-O-ALPHA-L-ARABINOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-[BETA-D-APIOFURANOSYL-(1->3)]-A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C81H120O39 |
| InChI | InChI=1S/C81H120O39/c1-33-57(111-36(4)85)51(93)54(96)68(108-33)117-62-59(113-47(89)18-13-37-11-14-38(104-10)15-12-37)35(3)110-71(63(62)118-70-56(98)61(116-72-64(99)81(103,31-84)32-107-72)58(34(2)109-70)114-67-55(97)60(43(88)29-106-67)115-66-52(94)48(90)42(87)28-105-66)120-74(102)79-22-21-75(5,6)25-40(79)39-16-17-45-76(7)26-41(86)65(119-69-53(95)50(92)49(91)44(27-82)112-69)78(9,73(100)101)46(76)19-20-77(45,8)80(39,30-83)24-23-79/h11-16,18,33-35,40-46,48-72,82-84,86-88,90-99,103H,17,19-32H2,1-10H3,(H,100,101)/b18-13+/t33-,34+,35-,40+,41+,42+,43-,44-,45-,46-,48+,49-,50+,51-,52-,53-,54+,55-,56-,57-,58+,59+,60+,61+,62+,63-,64+,65+,66+,67+,68-,69+,70+,71+,72+,76-,77-,78+,79+,80+,81-/m1/s1 |
| InChIKey | FNRGAHMIRSYDAC-VHCLQQAYSA-N |
| Literature Reference Author | C.LI,J.FU,J.YANG,D.ZHANG,Y.YUAN,N.CHEN |
| Literature Reference Citation | FITOTERAPIA,83,1184(2012) |
| Literature Reference DOI | 10.1016/j.fitote.2012.07.002 |
| Molecular Weight | 1717.820 g/mol |
| Sample ID | 72016 |
| Solvent | C5D5N |