![SAPINDOSIDE-B-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL]-ESTER;3-O-[BETA-D-XYLOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALP](/api/spectrum/4R7zxJYKh8l/structure.png?h=300&w=458 "SAPINDOSIDE-B-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL]-ESTER;3-O-[BETA-D-XYLOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALP")
| SpectraBase Compound ID | LpsXFsPc22Z |
|---|---|
| InChI | InChI=1S/C58H94O25/c1-24-34(63)39(68)42(71)48(76-24)82-46-40(69)38(67)30(20-59)78-51(46)83-52(73)58-17-15-53(3,4)19-27(58)26-9-10-32-54(5)13-12-33(55(6,23-60)31(54)11-14-57(32,8)56(26,7)16-18-58)79-50-45(37(66)29(62)22-75-50)81-49-43(72)44(35(64)25(2)77-49)80-47-41(70)36(65)28(61)21-74-47/h9,24-25,27-51,59-72H,10-23H2,1-8H3/t24-,25-,27-,28+,29-,30+,31?,32?,33-,34-,35-,36-,37-,38+,39+,40-,41+,42+,43+,44+,45+,46+,47-,48-,49-,50-,51-,54-,55-,56+,57+,58-/m0/s1 |
| InChIKey | YTZOMFBCPMYCET-WEYRECBUSA-N |
| Mol Weight | 1191.4 g/mol |
| Molecular Formula | C58H94O25 |
| Exact Mass | 1190.608419 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4R7zxJYKh8l |
|---|---|
| Name | SAPINDOSIDE-B-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL]-ESTER;3-O-[BETA-D-XYLOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALP |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H94O25 |
| InChI | InChI=1S/C58H94O25/c1-24-34(63)39(68)42(71)48(76-24)82-46-40(69)38(67)30(20-59)78-51(46)83-52(73)58-17-15-53(3,4)19-27(58)26-9-10-32-54(5)13-12-33(55(6,23-60)31(54)11-14-57(32,8)56(26,7)16-18-58)79-50-45(37(66)29(62)22-75-50)81-49-43(72)44(35(64)25(2)77-49)80-47-41(70)36(65)28(61)21-74-47/h9,24-25,27-51,59-72H,10-23H2,1-8H3/t24-,25-,27-,28+,29-,30+,31?,32?,33-,34-,35-,36-,37-,38+,39+,40-,41+,42+,43+,44+,45+,46+,47-,48-,49-,50-,51-,54-,55-,56+,57+,58-/m0/s1 |
| InChIKey | YTZOMFBCPMYCET-WEYRECBUSA-N |
| Literature Reference Author | C.LAVAUD,M.L.CRUBLET,I.POUNY,M.LITAUDON,T.SEVENET |
| Literature Reference Citation | PHYTOCHEM.,57,469(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(01)00063-2 |
| Molecular Weight | 1191.369 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN2233 |