![#2;3-BETA-(BETA-D-GLUCURONOPYRANOSYLOXY)-21-BETA-[(2,3,4-TRI-O-ACETYL)-ALPHA-L-RHAMNOPYRANOSYLOXY]-22-BETA,23,29-TRIXYDROXYOLEAN-12-ENE](/api/spectrum/KPkBgtbatM1/structure.png?h=300&w=458 "#2;3-BETA-(BETA-D-GLUCURONOPYRANOSYLOXY)-21-BETA-[(2,3,4-TRI-O-ACETYL)-ALPHA-L-RHAMNOPYRANOSYLOXY]-22-BETA,23,29-TRIXYDROXYOLEAN-12-ENE")
| SpectraBase Compound ID | IZVXtkYPcdY |
|---|---|
| InChI | InChI=1S/C48H74O18/c1-22-34(61-23(2)51)36(62-24(3)52)37(63-25(4)53)42(60-22)66-39-38(57)44(6)17-18-47(9)26(27(44)19-43(39,5)20-49)11-12-29-45(7)15-14-30(46(8,21-50)28(45)13-16-48(29,47)10)64-41-33(56)31(54)32(55)35(65-41)40(58)59/h11,22,27-39,41-42,49-50,54-57H,12-21H2,1-10H3,(H,58,59)/t22-,27-,28+,29+,30-,31-,32-,33+,34-,35-,36+,37+,38+,39-,41+,42-,43+,44+,45-,46-,47+,48+/m0/s1 |
| InChIKey | IJYCUJUXUVFFJB-JHEJGKBNSA-N |
| Mol Weight | 939.1 g/mol |
| Molecular Formula | C48H74O18 |
| Exact Mass | 938.487516 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KPkBgtbatM1 |
|---|---|
| Name | #2;3-BETA-(BETA-D-GLUCURONOPYRANOSYLOXY)-21-BETA-[(2,3,4-TRI-O-ACETYL)-ALPHA-L-RHAMNOPYRANOSYLOXY]-22-BETA,23,29-TRIXYDROXYOLEAN-12-ENE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H74O18 |
| InChI | InChI=1S/C48H74O18/c1-22-34(61-23(2)51)36(62-24(3)52)37(63-25(4)53)42(60-22)66-39-38(57)44(6)17-18-47(9)26(27(44)19-43(39,5)20-49)11-12-29-45(7)15-14-30(46(8,21-50)28(45)13-16-48(29,47)10)64-41-33(56)31(54)32(55)35(65-41)40(58)59/h11,22,27-39,41-42,49-50,54-57H,12-21H2,1-10H3,(H,58,59)/t22-,27-,28+,29+,30-,31-,32-,33+,34-,35-,36+,37+,38+,39-,41+,42-,43+,44+,45-,46-,47+,48+/m0/s1 |
| InChIKey | IJYCUJUXUVFFJB-JHEJGKBNSA-N |
| Literature Reference Author | A.HIURA,T.AKABANE,K.OHTANI,R.KASAI,K.YAMASAKI,Y.KURIHARA |
| Literature Reference Citation | PHYTOCHEM.,43,1023(1996) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00385-8 |
| Molecular Weight | 939.105 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS2272 |