| SpectraBase Compound ID | 4bm8CjV2oZX |
|---|---|
| InChI | InChI=1S/C45H72O18/c1-40(2)11-12-45(57)21(13-40)20-7-8-27-41(3)14-22(47)36(42(4,19-46)26(41)9-10-43(27,5)44(20,6)15-28(45)50)63-39-35(30(52)24(49)17-59-39)62-38-34(56)32(54)31(53)25(61-38)18-60-37-33(55)29(51)23(48)16-58-37/h7,21-27,29-39,46-49,51-57H,8-19H2,1-6H3/t21?,22-,23-,24-,25+,26?,27?,29-,30+,31+,32-,33+,34+,35+,36-,37-,38-,39-,41-,42-,43+,44+,45-/m0/s1 |
| InChIKey | VYMPMOVKZBDGQD-RGZQOZDESA-N |
| Mol Weight | 901.1 g/mol |
| Molecular Formula | C45H72O18 |
| Exact Mass | 900.471865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Gsret2LOPZ |
|---|---|
| Name | 3-O-[ALPHA-L-ARABINOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL)-2-BETA,17,23-TRIHYDROXY-28-NOROLEAN-12-EN-16-ONE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H72O18 |
| InChI | InChI=1S/C45H72O18/c1-40(2)11-12-45(57)21(13-40)20-7-8-27-41(3)14-22(47)36(42(4,19-46)26(41)9-10-43(27,5)44(20,6)15-28(45)50)63-39-35(30(52)24(49)17-59-39)62-38-34(56)32(54)31(53)25(61-38)18-60-37-33(55)29(51)23(48)16-58-37/h7,21-27,29-39,46-49,51-57H,8-19H2,1-6H3/t21?,22-,23-,24-,25+,26?,27?,29-,30+,31+,32-,33+,34+,35+,36-,37-,38-,39-,41-,42-,43+,44+,45-/m0/s1 |
| InChIKey | VYMPMOVKZBDGQD-RGZQOZDESA-N |
| Literature Reference Author | D.E.ROWAN,R.H.NEWMAN |
| Literature Reference Citation | PHYTOCHEM.,23,639(1984) |
| Literature Reference DOI | 10.1016/S0031-9422(00)80398-2 |
| Molecular Weight | 901.056 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK381 |