| SpectraBase Compound ID | 2sciBrqZj9q |
|---|---|
| InChI | InChI=1S/C45H72O20/c1-18-7-10-44(58-17-18)19(2)45(57)29(65-44)13-24-22-6-5-20-11-21(8-9-42(20,3)23(22)12-28(49)43(24,45)4)59-39-36(56)34(54)37(27(16-48)62-39)63-41-38(33(53)31(51)26(15-47)61-41)64-40-35(55)32(52)30(50)25(14-46)60-40/h5,18-19,21-41,46-57H,6-17H2,1-4H3/t18-,19-,21+,22-,23+,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35+,36-,37+,38+,39-,40-,41-,42+,43-,44-,45-/m1/s1 |
| InChIKey | YZVVZWBLMBKBJN-YYURYSKTSA-N |
| Mol Weight | 933.1 g/mol |
| Molecular Formula | C45H72O20 |
| Exact Mass | 932.461695 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KuMEMrmDBNN |
|---|---|
| Name | PRATIOSIDE-F1;#6;25R-SPIROST-5-EN-3-BETA,12-ALPHA,17-ALPHA-TRIOL-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H72O20 |
| InChI | InChI=1S/C45H72O20/c1-18-7-10-44(58-17-18)19(2)45(57)29(65-44)13-24-22-6-5-20-11-21(8-9-42(20,3)23(22)12-28(49)43(24,45)4)59-39-36(56)34(54)37(27(16-48)62-39)63-41-38(33(53)31(51)26(15-47)61-41)64-40-35(55)32(52)30(50)25(14-46)60-40/h5,18-19,21-41,46-57H,6-17H2,1-4H3/t18-,19-,21+,22-,23+,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35+,36-,37+,38+,39-,40-,41-,42+,43-,44-,45-/m1/s1 |
| InChIKey | YZVVZWBLMBKBJN-YYURYSKTSA-N |
| Literature Reference Author | X.C.LI,C.R.YANG,H.MATSUURA,R.KASAI,K.YAMASAKI |
| Literature Reference Citation | PHYTOCHEM.,33,465(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)85541-X |
| Molecular Weight | 933.055 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN6439 |