| SpectraBase Compound ID | 2EzdjPD5XO4 |
|---|---|
| InChI | InChI=1S/C53H84O24/c1-21-30(58)34(62)40(75-43-38(66)35(63)39(22(2)72-43)74-42-36(64)31(59)26(57)19-70-42)45(71-21)77-47(69)52-13-12-48(3,4)16-24(52)23-8-9-28-49(5)17-25(56)41(76-44-37(65)33(61)32(60)27(18-54)73-44)51(7,46(67)68)29(49)10-11-50(28,6)53(23,20-55)15-14-52/h8,21-22,24-45,54-66H,9-20H2,1-7H3,(H,67,68)/t21-,22+,24+,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+,53+/m1/s1 |
| InChIKey | KVWTUWYHUKDWNS-OYEYGCOVSA-N |
| Mol Weight | 1105.2 g/mol |
| Molecular Formula | C53H84O24 |
| Exact Mass | 1104.535254 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DhKwpfiaj4i |
|---|---|
| Name | #1;POLYGALASAPONIN-XXVIII;3-O-BETA-D-GLUCOPYRANOSYL-PRESENEGENIN-28-O-[BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-FUCOPYRANOSYL]-ESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H84O24 |
| InChI | InChI=1S/C53H84O24/c1-21-30(58)34(62)40(75-43-38(66)35(63)39(22(2)72-43)74-42-36(64)31(59)26(57)19-70-42)45(71-21)77-47(69)52-13-12-48(3,4)16-24(52)23-8-9-28-49(5)17-25(56)41(76-44-37(65)33(61)32(60)27(18-54)73-44)51(7,46(67)68)29(49)10-11-50(28,6)53(23,20-55)15-14-52/h8,21-22,24-45,54-66H,9-20H2,1-7H3,(H,67,68)/t21-,22+,24+,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+,53+/m1/s1 |
| InChIKey | KVWTUWYHUKDWNS-OYEYGCOVSA-N |
| Literature Reference Author | Y.L.LIN,W.P.CHEN,H.C.KO,F.N.KO,T.S.WU |
| Literature Reference Citation | J.FOOD.DRUG.ANAL.,16,26(2008) |
| Molecular Weight | 1105.236 g/mol |
| Sample ID | 70804 |
| Solvent | C5D5N |