| SpectraBase Compound ID | CqGXmRNMnwS |
|---|---|
| InChI | InChI=1S/C37H58O12/c1-19-32(40)27(43-7)17-31(45-19)49-33-20(2)46-30(18-28(33)44-8)48-24-11-12-34(5)23(15-24)9-10-25-26(34)16-29(47-22(4)39)35(6)36(41,21(3)38)13-14-37(25,35)42/h9,19-20,24-33,40-42H,10-18H2,1-8H3/t19-,20+,24-,25+,26?,27-,28+,29+,30-,31+,32-,33+,34-,35+,36+,37-/m0/s1 |
| InChIKey | JKWWXFVBXKLEJJ-YDCGHVCVSA-N |
| Mol Weight | 694.9 g/mol |
| Molecular Formula | C37H58O12 |
| Exact Mass | 694.392827 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2o7Nn0NkTzn |
|---|---|
| Name | 12-O-ACETYLPERGULARIN-3-O-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H58O12 |
| InChI | InChI=1S/C37H58O12/c1-19-32(40)27(43-7)17-31(45-19)49-33-20(2)46-30(18-28(33)44-8)48-24-11-12-34(5)23(15-24)9-10-25-26(34)16-29(47-22(4)39)35(6)36(41,21(3)38)13-14-37(25,35)42/h9,19-20,24-33,40-42H,10-18H2,1-8H3/t19-,20+,24-,25+,26?,27-,28+,29+,30-,31+,32-,33+,34-,35+,36+,37-/m0/s1 |
| InChIKey | JKWWXFVBXKLEJJ-YDCGHVCVSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | PHYTOCHEM.,49,2103(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00405-1 |
| Molecular Weight | 694.860 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU873 |