| SpectraBase Compound ID | ElNxnTYdWVh |
|---|---|
| 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-YHWNLKHCSA-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 | 3CZDATAhXeB |
|---|---|
| Name | MI-SAPONIN-A;3-O-BETA-D-GLUCOPYRANOSYL-PROTOBASSIC-ACID-28-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL-(1- |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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-YHWNLKHCSA-N |
| Literature Reference Author | C.LAVAUD,G.MASSIOT,M.BECCHI,G.MISRA,S.K.NIGAM |
| Literature Reference Citation | PHYTOCHEM.,41,887(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00692-3 |
| Molecular Weight | 1223.368 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU4111 |