| SpectraBase Compound ID | 1xyLwx64wTp |
|---|---|
| InChI | InChI=1S/C38H58O14/c1-18-34(52-35-33(44)32(43)31(42)27(16-39)51-35)25(46-5)14-29(48-18)50-22-8-10-36(3)21(13-22)6-7-24-23(36)9-11-37(4)30(20-12-28(41)47-17-20)26(49-19(2)40)15-38(24,37)45/h12,18,21-27,29-35,39,42-45H,6-11,13-17H2,1-5H3/t18-,21+,22+,23+,24-,25-,26+,27+,29+,30+,31+,32-,33+,34+,35-,36+,37-,38+/m1/s1 |
| InChIKey | ITYAEKHTQKSNBZ-QMULLBEDSA-N |
| Mol Weight | 738.9 g/mol |
| Molecular Formula | C38H58O14 |
| Exact Mass | 738.382657 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kk7VWFi8XZD |
|---|---|
| Name | 5-ALPHA-OLEANDRIGENIN_BETA-D-GLUCOSYL-BETA-D-DIGINOSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H58O14 |
| InChI | InChI=1S/C38H58O14/c1-18-34(52-35-33(44)32(43)31(42)27(16-39)51-35)25(46-5)14-29(48-18)50-22-8-10-36(3)21(13-22)6-7-24-23(36)9-11-37(4)30(20-12-28(41)47-17-20)26(49-19(2)40)15-38(24,37)45/h12,18,21-27,29-35,39,42-45H,6-11,13-17H2,1-5H3/t18-,21+,22+,23+,24-,25-,26+,27+,29+,30+,31+,32-,33+,34+,35-,36+,37-,38+/m1/s1 |
| InChIKey | ITYAEKHTQKSNBZ-QMULLBEDSA-N |
| Literature Reference Author | R.HANADA,F.ABE,T.YAMAUCHI |
| Literature Reference Citation | PHYTOCHEM.,31,3183(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)83471-A |
| Molecular Weight | 738.870 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ21512 |