| SpectraBase Compound ID | KJENYgzDTuq |
|---|---|
| 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-MJMNYWNNSA-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 | Ao9LzLrHZkQ |
|---|---|
| Name | ISOTERRESTROSIN-B;25(S)-5-BETA-SPIROSTAN-3-BETA-OL-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSIDE |
| Compound Number | 3 |
| 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-MJMNYWNNSA-N |
| Literature Reference Author | E.BEDIR,I.A.KHAN |
| Literature Reference Citation | J.NAT.PROD.,63,1699(2000) |
| Literature Reference DOI | 10.1021/np000353b |
| Molecular Weight | 887.072 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWRU2372 |