| SpectraBase Compound ID | 9g7GVEeXyC0 |
|---|---|
| InChI | InChI=1S/C36H58O12/c1-31(2)9-11-36(30(46)48-29-25(43)24(42)23(41)20(15-37)47-29)12-10-34(5)17(22(36)28(31)45)7-8-21-32(3)13-19(40)27(44)33(4,16-38)26(32)18(39)14-35(21,34)6/h7,18-29,37-45H,8-16H2,1-6H3/t18-,19-,20-,21-,22-,23-,24+,25-,26-,27+,28+,29+,32-,33+,34-,35-,36+/m1/s1 |
| InChIKey | BBPOLSMDPRNEHZ-KHKFGJGBSA-N |
| Mol Weight | 682.8 g/mol |
| Molecular Formula | C36H58O12 |
| Exact Mass | 682.392827 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BGxdvI4wd9Q |
|---|---|
| Name | COMBrEGLUCOSIDE;BETA-D-GLUCOPYRANOSYL-2-ALPHA,3-BETA,6-BETA,19-ALPHA,23-PENTAHYDROXY-OLEAN-12-EN-28-OATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H58O12 |
| InChI | InChI=1S/C36H58O12/c1-31(2)9-11-36(30(46)48-29-25(43)24(42)23(41)20(15-37)47-29)12-10-34(5)17(22(36)28(31)45)7-8-21-32(3)13-19(40)27(44)33(4,16-38)26(32)18(39)14-35(21,34)6/h7,18-29,37-45H,8-16H2,1-6H3/t18-,19-,20-,21-,22-,23-,24+,25-,26-,27+,28+,29+,32-,33+,34-,35-,36+/m1/s1 |
| InChIKey | BBPOLSMDPRNEHZ-KHKFGJGBSA-N |
| Literature Reference Author | A.JOSSANG,M.SEULEIMAN,E.MAIDOU,B.BODO |
| Literature Reference Citation | PHYTOCHEM.,41,591(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00641-9 |
| Molecular Weight | 682.849 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU3976 |