| SpectraBase Compound ID | 309IvecffKK |
|---|---|
| InChI | InChI=1S/C56H90O18/c1-28(2)29(3)21-44(58)71-43-27-42-53(9)18-16-36(22-35(53)15-19-55(42,60)56(61)20-17-37(30(4)57)54(43,56)10)70-45-24-39(63-12)50(32(6)67-45)73-47-26-41(65-14)52(34(8)69-47)74-48-25-40(64-13)51(33(7)68-48)72-46-23-38(62-11)49(59)31(5)66-46/h15,21,28,31-34,36-43,45-52,59-61H,16-20,22-27H2,1-14H3/b29-21+/t31-,32-,33-,34+,36+,37-,38+,39+,40-,41-,42-,43-,45+,46-,47-,48+,49-,50-,51-,52+,53+,54+,55+,56-/m1/s1 |
| InChIKey | FKENLMKIJFNLBM-CSGOBVMBSA-N |
| Mol Weight | 1051.3 g/mol |
| Molecular Formula | C56H90O18 |
| Exact Mass | 1050.612716 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 43kTVDWT9sx |
|---|---|
| Name | SIBIRIGENIN-3-O-ALPHA-L-CYMAROPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H90O18 |
| InChI | InChI=1S/C56H90O18/c1-28(2)29(3)21-44(58)71-43-27-42-53(9)18-16-36(22-35(53)15-19-55(42,60)56(61)20-17-37(30(4)57)54(43,56)10)70-45-24-39(63-12)50(32(6)67-45)73-47-26-41(65-14)52(34(8)69-47)74-48-25-40(64-13)51(33(7)68-48)72-46-23-38(62-11)49(59)31(5)66-46/h15,21,28,31-34,36-43,45-52,59-61H,16-20,22-27H2,1-14H3/b29-21+/t31-,32-,33-,34+,36+,37-,38+,39+,40-,41-,42-,43-,45+,46-,47-,48+,49-,50-,51-,52+,53+,54+,55+,56-/m1/s1 |
| InChIKey | FKENLMKIJFNLBM-CSGOBVMBSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,44,358(1996) |
| Literature Reference DOI | 10.1248/cpb.44.358 |
| Molecular Weight | 1051.320 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU31468 |