| SpectraBase Compound ID | KAUPtXYRwyg |
|---|---|
| InChI | InChI=1S/C48H72O18/c1-22-28(13-15-58-22)47(5)14-12-29-27(45(47)54)11-10-26-16-31(30(50)20-48(26,29)6)62-36-17-32(55-7)42(23(2)59-36)64-37-18-33(56-8)43(24(3)60-37)65-38-19-34(57-9)44(25(4)61-38)66-46-41(53)40(52)39(51)35(21-49)63-46/h10,13,15,23-25,27,29,31-44,46,49,51-53H,11-12,14,16-21H2,1-9H3/t23-,24-,25-,27?,29?,31+,32+,33-,34+,35+,36+,37-,38+,39+,40-,41+,42-,43+,44-,46-,47?,48-/m0/s1 |
| InChIKey | VZLBVKGFRIITIA-NITBWSGPSA-N |
| Mol Weight | 937.1 g/mol |
| Molecular Formula | C48H72O18 |
| Exact Mass | 936.471865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3PNr7nvRpOA |
|---|---|
| Name | #3;15,20-EPOXY-3-BETA-HYDROXY-14,15-SECO-PREGNA-5,15(16),17(20)-TRIEN-2,14-DIONE-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-ALPHA-L-DIGINO |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H72O18 |
| InChI | InChI=1S/C48H72O18/c1-22-28(13-15-58-22)47(5)14-12-29-27(45(47)54)11-10-26-16-31(30(50)20-48(26,29)6)62-36-17-32(55-7)42(23(2)59-36)64-37-18-33(56-8)43(24(3)60-37)65-38-19-34(57-9)44(25(4)61-38)66-46-41(53)40(52)39(51)35(21-49)63-46/h10,13,15,23-25,27,29,31-44,46,49,51-53H,11-12,14,16-21H2,1-9H3/t23-,24-,25-,27?,29?,31+,32+,33-,34+,35+,36+,37-,38+,39+,40-,41+,42-,43+,44-,46-,47?,48-/m0/s1 |
| InChIKey | VZLBVKGFRIITIA-NITBWSGPSA-N |
| Literature Reference Author | Z.X.ZHANG,J.ZHOU,K.HAYASHI,K.KANEKO |
| Literature Reference Citation | PHYTOCHEM.,27,2935(1988) |
| Literature Reference DOI | 10.1016/0031-9422(88)80692-7 |
| Molecular Weight | 937.089 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK1212 |