| SpectraBase Compound ID | 1iCaLnGvAGy |
|---|---|
| InChI | InChI=1S/C36H56O12/c1-17-9-12-36(30(45)48-28-25(41)24(40)23(39)20(16-37)47-28)14-13-32(3)18(26(36)35(17,6)46)7-8-21-31(2)15-19(38)27(42)34(5,29(43)44)22(31)10-11-33(21,32)4/h7,17,19-28,37-42,46H,8-16H2,1-6H3,(H,43,44)/t17-,19-,20-,21?,22?,23-,24+,25-,26?,27+,28+,31-,32-,33-,34+,35-,36+/m1/s1 |
| InChIKey | YXSQSVWHKZZWDD-YNAOJVPESA-N |
| Mol Weight | 680.8 g/mol |
| Molecular Formula | C36H56O12 |
| Exact Mass | 680.377177 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AhHs3pRHDM8 |
|---|---|
| Name | SUAVISSIMOSIDE-F1;2-ALPHA,3-BETA,19-ALPHA-TRIHYDROXY-URS-12-EN-23,28-DIOIC-ACID-28-O-BETA-D-GLUCOPYRANOSIDE |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56O12 |
| InChI | InChI=1S/C36H56O12/c1-17-9-12-36(30(45)48-28-25(41)24(40)23(39)20(16-37)47-28)14-13-32(3)18(26(36)35(17,6)46)7-8-21-31(2)15-19(38)27(42)34(5,29(43)44)22(31)10-11-33(21,32)4/h7,17,19-28,37-42,46H,8-16H2,1-6H3,(H,43,44)/t17-,19-,20-,21?,22?,23-,24+,25-,26?,27+,28+,31-,32-,33-,34+,35-,36+/m1/s1 |
| InChIKey | YXSQSVWHKZZWDD-YNAOJVPESA-N |
| Literature Reference Author | S.SHIGENAGA,I.KUONO,N.KAWANO |
| Literature Reference Citation | PHYTOCHEM.,24,115(1985) |
| Literature Reference DOI | 10.1016/S0031-9422(00)80818-3 |
| Molecular Weight | 680.833 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWCS8866 |