![TERRESTROSIN-B;(25S)-5-ALPHA-SPIROSTAN-3-BETA-OL-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-GALACTOPYRANOSIDE](/api/spectrum/7tQH7xRQVof/structure.png?h=300&w=458 "TERRESTROSIN-B;(25S)-5-ALPHA-SPIROSTAN-3-BETA-OL-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-GALACTOPYRANOSIDE")
| SpectraBase Compound ID | 52dJbeiUox7 |
|---|---|
| InChI | InChI=1S/C45H74O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-35(52)33(50)31(48)21(3)56-40)37(54)38(29(17-47)59-42)60-41-36(53)34(51)32(49)28(16-46)58-41/h19-42,46-54H,6-18H2,1-5H3/t19-,20+,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 | MTIGBMJVOSJZQH-ZDYLLJSXSA-N |
| Mol Weight | 887.1 g/mol |
| Molecular Formula | C45H74O17 |
| Exact Mass | 886.492601 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7tQH7xRQVof |
|---|---|
| Name | TERRESTROSIN-B;(25S)-5-ALPHA-SPIROSTAN-3-BETA-OL-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-GALACTOPYRANOSIDE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H74O17 |
| InChI | InChI=1S/C45H74O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-35(52)33(50)31(48)21(3)56-40)37(54)38(29(17-47)59-42)60-41-36(53)34(51)32(49)28(16-46)58-41/h19-42,46-54H,6-18H2,1-5H3/t19-,20+,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 | MTIGBMJVOSJZQH-ZDYLLJSXSA-N |
| Literature Reference Author | W.YAN,K.OHTANI,R.KASAI,K.YAMASAKI |
| Literature Reference Citation | PHYTOCHEM.,42,1417(1996) |
| Literature Reference DOI | 10.1016/0031-9422(96)00131-8 |
| Molecular Weight | 887.072 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN3122 |