| SpectraBase Compound ID | HzCNoySPDZ1 |
|---|---|
| InChI | InChI=1S/C50H72O19/c1-24(51)61-22-34-37(64-27(4)54)38(65-28(5)55)39(66-29(6)56)43(68-34)69-44(60)50-18-16-45(8,9)41(59)36(50)31-14-15-35-46(10)21-33(63-26(3)53)42(67-30(7)57)47(11,23-62-25(2)52)40(46)32(58)20-49(35,13)48(31,12)17-19-50/h14,32-43,58-59H,15-23H2,1-13H3/t32-,33-,34-,35-,36-,37-,38+,39-,40-,41+,42+,43+,46-,47+,48-,49-,50+/m1/s1 |
| InChIKey | BEIBVPGQOUUNAH-JTERULMYSA-N |
| Mol Weight | 977.1 g/mol |
| Molecular Formula | C50H72O19 |
| Exact Mass | 976.46678 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BVvj5HzNGmy |
|---|---|
| Name | COMBrEGLUCOSIDE-HEPTA-ACETATE;HEPTA-O-ACETYL-BETA-D-GLUCOPYRANOSYL-2-ALPHA,3-BETA,6-BETA,19-ALPHA,23-PENTAHYDROXY-OLEAN-12-EN-28-OATE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H72O19 |
| InChI | InChI=1S/C50H72O19/c1-24(51)61-22-34-37(64-27(4)54)38(65-28(5)55)39(66-29(6)56)43(68-34)69-44(60)50-18-16-45(8,9)41(59)36(50)31-14-15-35-46(10)21-33(63-26(3)53)42(67-30(7)57)47(11,23-62-25(2)52)40(46)32(58)20-49(35,13)48(31,12)17-19-50/h14,32-43,58-59H,15-23H2,1-13H3/t32-,33-,34-,35-,36-,37-,38+,39-,40-,41+,42+,43+,46-,47+,48-,49-,50+/m1/s1 |
| InChIKey | BEIBVPGQOUUNAH-JTERULMYSA-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 | 977.110 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU3979 |