| SpectraBase Compound ID | pbSeT5rioE |
|---|---|
| InChI | InChI=1S/C48H78O19/c1-20-27(51)29(53)33(57)40(62-20)67-38-37(59)44(4)15-16-47(7)21(22(44)17-43(38,2)3)9-10-25-45(5)13-12-26(46(6,19-50)24(45)11-14-48(25,47)8)64-42-36(32(56)31(55)35(65-42)39(60)61)66-41-34(58)30(54)28(52)23(18-49)63-41/h9,20,22-38,40-42,49-59H,10-19H2,1-8H3,(H,60,61)/t20-,22-,23+,24+,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35-,36+,37+,38+,40-,41-,42+,44+,45-,46+,47+,48+/m0/s1 |
| InChIKey | AYVAZBJAERRTDF-VYNYWMMWSA-N |
| Mol Weight | 959.1 g/mol |
| Molecular Formula | C48H78O19 |
| Exact Mass | 958.51373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 109Rz0n20Ni |
|---|---|
| Name | 3-BETA,21-ALPHA,22-BETA,24-TETRAHYDROXY-OLEAN-12-EN-3-O-BETA-D-GALACTOPPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-21-O-ALPHA-L-RHAMNOPYRANOSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H78O19 |
| InChI | InChI=1S/C48H78O19/c1-20-27(51)29(53)33(57)40(62-20)67-38-37(59)44(4)15-16-47(7)21(22(44)17-43(38,2)3)9-10-25-45(5)13-12-26(46(6,19-50)24(45)11-14-48(25,47)8)64-42-36(32(56)31(55)35(65-42)39(60)61)66-41-34(58)30(54)28(52)23(18-49)63-41/h9,20,22-38,40-42,49-59H,10-19H2,1-8H3,(H,60,61)/t20-,22-,23+,24+,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35-,36+,37+,38+,40-,41-,42+,44+,45-,46+,47+,48+/m0/s1 |
| InChIKey | AYVAZBJAERRTDF-VYNYWMMWSA-N |
| Literature Reference Author | G.M.WOLDEMICHAEL,G.MONTENEGRO,B.N.TIMMERMANN |
| Literature Reference Citation | PHYTOCHEM.,63,853(2003) |
| Literature Reference DOI | 10.1016/S0031-9422(03)00328-5 |
| Molecular Weight | 959.136 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS28395 |