| SpectraBase Compound ID | AJWJmtz9Th8 |
|---|---|
| InChI | InChI=1S/C48H78O17/c1-23(49)30-13-16-48(54)46(30,7)36(51)22-35-45(6)14-12-29(17-28(45)11-15-47(35,48)53)62-37-18-31(50)42(25(3)59-37)63-39-20-33(56-9)44(26(4)60-39)65-40-21-34(57-10)43(27(5)61-40)64-38-19-32(55-8)41(52)24(2)58-38/h11,24-27,29-44,50-54H,12-22H2,1-10H3/t24-,25-,26-,27+,29-,30+,31+,32-,33-,34-,35+,36+,37+,38+,39+,40-,41-,42-,43+,44-,45-,46-,47-,48+/m0/s1 |
| InChIKey | XHNBLWKMNRQEDK-RINBNWQDSA-N |
| Mol Weight | 927.1 g/mol |
| Molecular Formula | C48H78O17 |
| Exact Mass | 926.523901 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B1kDnNRNjVT |
|---|---|
| Name | ISOLINEOLON-3-O-BETA-OLEANDROPYRANOSYL-(1->4)-BETA-CYMAROPYRANOSYL-(1->4)-BETA-OLEANDROPYRANOSYL-(1->4)-BETA-DIGITOXOPYRANOSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H78O17 |
| InChI | InChI=1S/C48H78O17/c1-23(49)30-13-16-48(54)46(30,7)36(51)22-35-45(6)14-12-29(17-28(45)11-15-47(35,48)53)62-37-18-31(50)42(25(3)59-37)63-39-20-33(56-9)44(26(4)60-39)65-40-21-34(57-10)43(27(5)61-40)64-38-19-32(55-8)41(52)24(2)58-38/h11,24-27,29-44,50-54H,12-22H2,1-10H3/t24-,25-,26-,27+,29-,30+,31+,32-,33-,34-,35+,36+,37+,38+,39+,40-,41-,42-,43+,44-,45-,46-,47-,48+/m0/s1 |
| InChIKey | XHNBLWKMNRQEDK-RINBNWQDSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | PHYTOCHEM.,37,217(1994) |
| Literature Reference DOI | 10.1016/0031-9422(94)85029-1 |
| Molecular Weight | 927.137 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU23049 |