| SpectraBase Compound ID | IakHoEFaHMM |
|---|---|
| InChI | InChI=1S/C58H92O28/c1-21-30(64)32(66)36(70)48(79-21)82-41-28(63)19-77-47(39(41)73)81-40-22(2)80-49(38(72)35(40)69)84-43-31(65)27(62)18-78-51(43)86-52(76)58-13-11-53(3,4)15-24(58)23-9-10-29-54(5)16-26(61)45(85-50-37(71)33(67)34(68)42(83-50)46(74)75)55(6,20-59)44(54)25(60)17-57(29,8)56(23,7)12-14-58/h9,21-22,24-45,47-51,59-73H,10-20H2,1-8H3,(H,74,75)/t21-,22-,24-,25+,26-,27-,28+,29+,30-,31-,32+,33-,34-,35-,36+,37+,38+,39+,40-,41-,42-,43+,44+,45-,47-,48-,49-,50-,51-,54+,55-,56+,57+,58-/m0/s1 |
| InChIKey | OMFMRYFFZXXOPU-KHIGTCTDSA-N |
| Mol Weight | 1237.3 g/mol |
| Molecular Formula | C58H92O28 |
| Exact Mass | 1236.577512 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | PPGadXM3YC |
|---|---|
| Name | #1;BUTYROSIDE-C;3-O-BETA-D-GLUCURONOPYRANOSYL-PROTOBASSIC-ACID-28-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H92O28 |
| InChI | InChI=1S/C58H92O28/c1-21-30(64)32(66)36(70)48(79-21)82-41-28(63)19-77-47(39(41)73)81-40-22(2)80-49(38(72)35(40)69)84-43-31(65)27(62)18-78-51(43)86-52(76)58-13-11-53(3,4)15-24(58)23-9-10-29-54(5)16-26(61)45(85-50-37(71)33(67)34(68)42(83-50)46(74)75)55(6,20-59)44(54)25(60)17-57(29,8)56(23,7)12-14-58/h9,21-22,24-45,47-51,59-73H,10-20H2,1-8H3,(H,74,75)/t21-,22-,24-,25+,26-,27-,28+,29+,30-,31-,32+,33-,34-,35-,36+,37+,38+,39+,40-,41-,42-,43+,44+,45-,47-,48-,49-,50-,51-,54+,55-,56+,57+,58-/m0/s1 |
| InChIKey | OMFMRYFFZXXOPU-KHIGTCTDSA-N |
| Literature Reference Author | X.C.LI,Y.Q.LIU,D.Z.WANG,C.R.YANG,S.K.NIGAM,G.MISRA |
| Literature Reference Citation | PHYTOCHEM.,37,827(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90365-0 |
| Molecular Weight | 1237.352 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU23505 |