![ANGUIVIOSIDE-A;3-O-BETA-CHACOTRIOSYL-(25R,26R)-SPIROST-5-EN-3-BETA,26-DIOL;3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-BETA](/api/spectrum/70zvz0DRqkx/structure.png?h=300&w=458 "ANGUIVIOSIDE-A;3-O-BETA-CHACOTRIOSYL-(25R,26R)-SPIROST-5-EN-3-BETA,26-DIOL;3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-BETA")
| SpectraBase Compound ID | 3uZZRY1qZo |
|---|---|
| InChI | InChI=1S/C45H72O17/c1-18-9-14-45(62-39(18)54)19(2)29-27(61-45)16-26-24-8-7-22-15-23(10-12-43(22,5)25(24)11-13-44(26,29)6)57-42-38(60-41-35(52)33(50)31(48)21(4)56-41)36(53)37(28(17-46)58-42)59-40-34(51)32(49)30(47)20(3)55-40/h7,18-21,23-42,46-54H,8-17H2,1-6H3/t18-,19-,20-,21-,23-,24+,25-,26-,27-,28+,29-,30-,31-,32+,33+,34+,35+,36-,37+,38+,39-,40-,41-,42+,43-,44-,45-/m0/s1 |
| InChIKey | LPZCNTXUCIGYQK-ZLAVOSABSA-N |
| Mol Weight | 885.1 g/mol |
| Molecular Formula | C45H72O17 |
| Exact Mass | 884.476951 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 70zvz0DRqkx |
|---|---|
| Name | ANGUIVIOSIDE-A;3-O-BETA-CHACOTRIOSYL-(25R,26R)-SPIROST-5-EN-3-BETA,26-DIOL;3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-BETA |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H72O17 |
| InChI | InChI=1S/C45H72O17/c1-18-9-14-45(62-39(18)54)19(2)29-27(61-45)16-26-24-8-7-22-15-23(10-12-43(22,5)25(24)11-13-44(26,29)6)57-42-38(60-41-35(52)33(50)31(48)21(4)56-41)36(53)37(28(17-46)58-42)59-40-34(51)32(49)30(47)20(3)55-40/h7,18-21,23-42,46-54H,8-17H2,1-6H3/t18-,19-,20-,21-,23-,24+,25-,26-,27-,28+,29-,30-,31-,32+,33+,34+,35+,36-,37+,38+,39-,40-,41-,42+,43-,44-,45-/m0/s1 |
| InChIKey | LPZCNTXUCIGYQK-ZLAVOSABSA-N |
| Literature Reference Author | X.H.ZHU,T.IKEDA,T.NOHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,568(2000) |
| Literature Reference DOI | 10.1248/cpb.48.568 |
| Molecular Weight | 885.056 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU5081 |