| SpectraBase Compound ID | I3pC5kwgN0r |
|---|---|
| InChI | InChI=1S/C51H74O16/c1-27(52)34-19-22-51(57)49(34,6)38(65-39(53)16-15-31-13-11-10-12-14-31)26-37-48(5)20-18-33(23-32(48)17-21-50(37,51)56)64-40-24-35(58-7)44(29(3)61-40)66-41-25-36(59-8)45(30(4)62-41)67-47-43(55)46(60-9)42(54)28(2)63-47/h10-17,28-30,33-38,40-47,54-57H,18-26H2,1-9H3/b16-15+/t28-,29-,30+,33+,34+,35+,36-,37-,38-,40+,41-,42-,43-,44-,45+,46+,47+,48+,49+,50+,51-/m1/s1 |
| InChIKey | PKXJCZMHLDUFQS-IEOUKKNJSA-N |
| Mol Weight | 943.1 g/mol |
| Molecular Formula | C51H74O16 |
| Exact Mass | 942.497686 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2rELz8b8eMG |
|---|---|
| Name | IKEMAGENIN-3-O-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H74O16 |
| InChI | InChI=1S/C51H74O16/c1-27(52)34-19-22-51(57)49(34,6)38(65-39(53)16-15-31-13-11-10-12-14-31)26-37-48(5)20-18-33(23-32(48)17-21-50(37,51)56)64-40-24-35(58-7)44(29(3)61-40)66-41-25-36(59-8)45(30(4)62-41)67-47-43(55)46(60-9)42(54)28(2)63-47/h10-17,28-30,33-38,40-47,54-57H,18-26H2,1-9H3/b16-15+/t28-,29-,30+,33+,34+,35+,36-,37-,38-,40+,41-,42-,43-,44-,45+,46+,47+,48+,49+,50+,51-/m1/s1 |
| InChIKey | PKXJCZMHLDUFQS-IEOUKKNJSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,516(2000) |
| Literature Reference DOI | 10.1248/cpb.48.516 |
| Molecular Weight | 943.139 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU5020 |