![#1;POLYGALASAPONIN-LI;3-O-BETA-D-GLUCOPYRANOSYL-PRESENEGENIN-28-O-ALPHA-L-ARABINOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-[BETA-D-APIOFURANOSYL-(1->3)]-ALP](/api/spectrum/4ItPr8wI4Kl/structure.png?h=300&w=458 "#1;POLYGALASAPONIN-LI;3-O-BETA-D-GLUCOPYRANOSYL-PRESENEGENIN-28-O-ALPHA-L-ARABINOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-[BETA-D-APIOFURANOSYL-(1->3)]-ALP")
| SpectraBase Compound ID | F6jzvqU29jG |
|---|---|
| InChI | InChI=1S/C86H122O39/c1-37-61(118-70(104)41-13-11-10-12-14-41)55(97)58(100)73(113-37)122-66-63(117-51(93)22-17-40-15-18-42(109-9)19-16-40)39(3)115-76(67(66)123-75-60(102)65(121-77-68(103)86(108,35-89)36-112-77)62(38(2)114-75)119-72-59(101)64(47(92)33-111-72)120-71-56(98)52(94)46(91)32-110-71)125-79(107)84-26-25-80(4,5)29-44(84)43-20-21-49-81(6)30-45(90)69(124-74-57(99)54(96)53(95)48(31-87)116-74)83(8,78(105)106)50(81)23-24-82(49,7)85(43,34-88)28-27-84/h10-20,22,37-39,44-50,52-69,71-77,87-92,94-103,108H,21,23-36H2,1-9H3,(H,105,106)/b22-17+/t37-,38-,39+,44-,45-,46-,47+,48+,49+,50+,52-,53+,54-,55-,56+,57+,58+,59+,60+,61-,62-,63-,64-,65-,66-,67+,68-,69-,71-,72-,73-,74-,75-,76-,77-,81+,82+,83-,84-,85-,86+/m0/s1 |
| InChIKey | HNMBHMUDHFQLME-GXMXVYAASA-N |
| Mol Weight | 1779.9 g/mol |
| Molecular Formula | C86H122O39 |
| Exact Mass | 1778.756324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ItPr8wI4Kl |
|---|---|
| Name | #1;POLYGALASAPONIN-LI;3-O-BETA-D-GLUCOPYRANOSYL-PRESENEGENIN-28-O-ALPHA-L-ARABINOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-[BETA-D-APIOFURANOSYL-(1->3)]-ALP |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C86H122O39 |
| InChI | InChI=1S/C86H122O39/c1-37-61(118-70(104)41-13-11-10-12-14-41)55(97)58(100)73(113-37)122-66-63(117-51(93)22-17-40-15-18-42(109-9)19-16-40)39(3)115-76(67(66)123-75-60(102)65(121-77-68(103)86(108,35-89)36-112-77)62(38(2)114-75)119-72-59(101)64(47(92)33-111-72)120-71-56(98)52(94)46(91)32-110-71)125-79(107)84-26-25-80(4,5)29-44(84)43-20-21-49-81(6)30-45(90)69(124-74-57(99)54(96)53(95)48(31-87)116-74)83(8,78(105)106)50(81)23-24-82(49,7)85(43,34-88)28-27-84/h10-20,22,37-39,44-50,52-69,71-77,87-92,94-103,108H,21,23-36H2,1-9H3,(H,105,106)/b22-17+/t37-,38-,39+,44-,45-,46-,47+,48+,49+,50+,52-,53+,54-,55-,56+,57+,58+,59+,60+,61-,62-,63-,64-,65-,66-,67+,68-,69-,71-,72-,73-,74-,75-,76-,77-,81+,82+,83-,84-,85-,86+/m0/s1 |
| InChIKey | HNMBHMUDHFQLME-GXMXVYAASA-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 | 1779.891 g/mol |
| Sample ID | 72014 |
| Solvent | C5D5N |