| SpectraBase Compound ID | CGFmERkVFm9 |
|---|---|
| InChI | InChI=1S/C58H90O25/c1-25-43-40(69)42(71)48(76-25)81-44-36(65)29(62)22-74-49(44)83-51(72)58-15-13-52(2,3)17-27(58)26-9-10-33-54(5)18-28(61)46(55(6,24-60)32(54)11-12-57(33,8)56(26,7)14-16-58)82-50-45(39(68)37(66)30(21-59)78-50)80-47-41(70)38(67)31(23-75-47)77-34(63)19-53(4,73)20-35(64)79-43/h9,25,27-33,36-50,59-62,65-71,73H,10-24H2,1-8H3/t25?,27-,28?,29?,30+,31?,32-,33-,36?,37?,38?,39+,40?,41+,42?,43?,44?,45+,46?,47-,48?,49?,50-,53?,54-,55?,56+,57+,58-/m1/s1 |
| InChIKey | PXAJIPKKQKKYQF-PVIMIDPDSA-N |
| Mol Weight | 1187.3 g/mol |
| Molecular Formula | C58H90O25 |
| Exact Mass | 1186.577118 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IqLc6aVwrUc |
|---|---|
| Name | Prosapogenin_of_tubeimoside-I |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C58H90O25 |
| InChI | InChI=1S/C58H90O25/c1-25-43-40(69)42(71)48(76-25)81-44-36(65)29(62)22-74-49(44)83-51(72)58-15-13-52(2,3)17-27(58)26-9-10-33-54(5)18-28(61)46(55(6,24-60)32(54)11-12-57(33,8)56(26,7)14-16-58)82-50-45(39(68)37(66)30(21-59)78-50)80-47-41(70)38(67)31(23-75-47)77-34(63)19-53(4,73)20-35(64)79-43/h9,25,27-33,36-50,59-62,65-71,73H,10-24H2,1-8H3/t25?,27-,28?,29?,30+,31?,32-,33-,36?,37?,38?,39+,40?,41+,42?,43?,44?,45+,46?,47-,48?,49?,50-,53?,54-,55?,56+,57+,58-/m1/s1 |
| InChIKey | PXAJIPKKQKKYQF-PVIMIDPDSA-N |
| Literature Reference | Tetrahedron Lett. 27, 5765 (1986). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine-D5 |