| SpectraBase Compound ID | 3LplFyi90JP |
|---|---|
| InChI | InChI=1S/C58H86O18/c1-31(59)39-21-24-58(63)56(39,7)45(73-46(60)18-17-36-15-13-12-14-16-36)30-44-55(6)22-20-38(25-37(55)19-23-57(44,58)62)72-47-27-41(65-9)52(33(3)69-47)75-49-29-43(67-11)54(35(5)71-49)76-50-28-42(66-10)53(34(4)70-50)74-48-26-40(64-8)51(61)32(2)68-48/h12-19,32-35,38-45,47-54,61-63H,20-30H2,1-11H3/b18-17+/t32-,33+,34+,35-,38-,39-,40+,41-,42+,43+,44+,45+,47-,48+,49+,50-,51-,52+,53+,54-,55-,56-,57-,58+/m0/s1 |
| InChIKey | CZSZZIVBRWCEHJ-JEVXIIGYSA-N |
| Mol Weight | 1071.3 g/mol |
| Molecular Formula | C58H86O18 |
| Exact Mass | 1070.581416 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HyloI56x6D |
|---|---|
| Name | IKEMAGENIN-3-O-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H86O18 |
| InChI | InChI=1S/C58H86O18/c1-31(59)39-21-24-58(63)56(39,7)45(73-46(60)18-17-36-15-13-12-14-16-36)30-44-55(6)22-20-38(25-37(55)19-23-57(44,58)62)72-47-27-41(65-9)52(33(3)69-47)75-49-29-43(67-11)54(35(5)71-49)76-50-28-42(66-10)53(34(4)70-50)74-48-26-40(64-8)51(61)32(2)68-48/h12-19,32-35,38-45,47-54,61-63H,20-30H2,1-11H3/b18-17+/t32-,33+,34+,35-,38-,39-,40+,41-,42+,43+,44+,45+,47-,48+,49+,50-,51-,52+,53+,54-,55-,56-,57-,58+/m0/s1 |
| InChIKey | CZSZZIVBRWCEHJ-JEVXIIGYSA-N |
| Literature Reference Author | F.ABE,T.YAMAUCHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,1017(2000) |
| Literature Reference DOI | 10.1248/cpb.48.1017 |
| Molecular Weight | 1071.310 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN4355 |