| SpectraBase Compound ID | 2nRP7DPI2Fl |
|---|---|
| InChI | InChI=1S/C36H56O11/c1-18-9-14-36(30(44)47-28-26(41)25(40)24(39)20(17-37)46-28)16-15-32(3)19(27(36)35(18,6)45)7-8-21-31(2)12-11-23(38)34(5,29(42)43)22(31)10-13-33(21,32)4/h7,18,20-28,37-41,45H,8-17H2,1-6H3,(H,42,43)/t18-,20-,21?,22?,23+,24-,25+,26-,27?,28+,31-,32-,33-,34-,35-,36+/m1/s1 |
| InChIKey | AWFZJSUJFSUBQU-NQNHUZQHSA-N |
| Mol Weight | 664.8 g/mol |
| Molecular Formula | C36H56O11 |
| Exact Mass | 664.382263 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9UqDNf1DXWV |
|---|---|
| Name | ILEXSAPONIN-A;3-BETA,19-ALPHA-DIHYDROXY-URS-12-EN-24,28-DIOIC-ACID-28-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56O11 |
| InChI | InChI=1S/C36H56O11/c1-18-9-14-36(30(44)47-28-26(41)25(40)24(39)20(17-37)46-28)16-15-32(3)19(27(36)35(18,6)45)7-8-21-31(2)12-11-23(38)34(5,29(42)43)22(31)10-13-33(21,32)4/h7,18,20-28,37-41,45H,8-17H2,1-6H3,(H,42,43)/t18-,20-,21?,22?,23+,24-,25+,26-,27?,28+,31-,32-,33-,34-,35-,36+/m1/s1 |
| InChIKey | AWFZJSUJFSUBQU-NQNHUZQHSA-N |
| Literature Reference Author | W.ZHAO,J.L.WOLFENDER,K.HOSTETTMANN,K.CHENG,R.XU,G.QIN |
| Literature Reference Citation | PHYTOCHEM.,45,1073(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00089-7 |
| Molecular Weight | 664.834 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSP469 |