| SpectraBase Compound ID | JtSlL7R8FOA |
|---|---|
| InChI | InChI=1S/C58H94O27/c1-22-32(65)35(68)38(71)48(78-22)82-43-29(64)20-76-47(41(43)74)81-42-23(2)79-49(40(73)37(42)70)83-44-33(66)28(63)19-77-51(44)85-52(75)58-13-11-53(3,4)15-25(58)24-9-10-31-54(5)16-27(62)46(84-50-39(72)36(69)34(67)30(18-59)80-50)55(6,21-60)45(54)26(61)17-57(31,8)56(24,7)12-14-58/h9,22-23,25-51,59-74H,10-21H2,1-8H3/t22-,23-,25?,26?,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-/m1/s1 |
| InChIKey | CQUSHZSCDGSFBF-WFEWVQNVSA-N |
| Mol Weight | 1223.4 g/mol |
| Molecular Formula | C58H94O27 |
| Exact Mass | 1222.598248 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1f5AZRgJk01 |
|---|---|
| Name | MI-SAPONIN A |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C58H94O27 |
| InChI | InChI=1S/C58H94O27/c1-22-32(65)35(68)38(71)48(78-22)82-43-29(64)20-76-47(41(43)74)81-42-23(2)79-49(40(73)37(42)70)83-44-33(66)28(63)19-77-51(44)85-52(75)58-13-11-53(3,4)15-25(58)24-9-10-31-54(5)16-27(62)46(84-50-39(72)36(69)34(67)30(18-59)80-50)55(6,21-60)45(54)26(61)17-57(31,8)56(24,7)12-14-58/h9,22-23,25-51,59-74H,10-21H2,1-8H3/t22-,23-,25?,26?,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-/m1/s1 |
| InChIKey | CQUSHZSCDGSFBF-WFEWVQNVSA-N |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |