![21-O.beta.-D-Fucopyranosyl-3-O-[.beta.-D-glucopyranosyl-(1->2).beta.-D-glucuronopyranosyl]-protoaescigenin](/api/spectrum/A8MGsNMKPey/structure.png?h=300&w=458 "21-O.beta.-D-Fucopyranosyl-3-O-[.beta.-D-glucopyranosyl-(1->2).beta.-D-glucuronopyranosyl]-protoaescigenin")
| SpectraBase Compound ID | JnkHLsDns5Y |
|---|---|
| InChI | InChI=1S/C58H90O24/c1-13-25(2)48(71)79-43-41(70)51(74-26(3)42(43)75-27(4)62)82-46-47(76-28(5)63)58(24-61)30(20-53(46,6)7)29-14-15-33-54(8)18-17-35(55(9,23-60)32(54)16-19-56(33,10)57(29,11)21-34(58)64)78-52-45(39(68)38(67)44(80-52)49(72)73-12)81-50-40(69)37(66)36(65)31(22-59)77-50/h13-14,26,30-47,50-52,59-61,64-70H,15-24H2,1-12H3/b25-13+/t26?,30-,31?,32?,33?,34-,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47-,50?,51?,52?,54?,55?,56?,57+,58-/m1/s1 |
| InChIKey | YIROMNJBJDVFEX-OPKKJWJLSA-N |
| Mol Weight | 1171.3 g/mol |
| Molecular Formula | C58H90O24 |
| Exact Mass | 1170.582204 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A8MGsNMKPey |
|---|---|
| Name | 21-O.beta.-D-Fucopyranosyl-3-O-[.beta.-D-glucopyranosyl-(1->2).beta.-D-glucuronopyranosyl]-protoaescigenin |
| Comments | broad-band decoupling (BB) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C58H90O24 |
| InChI | InChI=1S/C58H90O24/c1-13-25(2)48(71)79-43-41(70)51(74-26(3)42(43)75-27(4)62)82-46-47(76-28(5)63)58(24-61)30(20-53(46,6)7)29-14-15-33-54(8)18-17-35(55(9,23-60)32(54)16-19-56(33,10)57(29,11)21-34(58)64)78-52-45(39(68)38(67)44(80-52)49(72)73-12)81-50-40(69)37(66)36(65)31(22-59)77-50/h13-14,26,30-47,50-52,59-61,64-70H,15-24H2,1-12H3/b25-13+/t26?,30-,31?,32?,33?,34-,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47-,50?,51?,52?,54?,55?,56?,57+,58-/m1/s1 |
| InChIKey | YIROMNJBJDVFEX-OPKKJWJLSA-N |
| Instrument Name | SF = 100 MHz |
| Literature Reference | Chem. Pharm. Bull. 33, 1387 (1985). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine-D5 |