| SpectraBase Compound ID | Achf4xS6BkB |
|---|---|
| InChI | InChI=1S/C45H74O17/c1-19-8-13-45(57-16-19)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)59-42-39(54)36(51)33(48)29(61-42)18-56-41-38(53)35(50)32(47)28(60-41)17-55-40-37(52)34(49)31(46)21(3)58-40/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 | SOLLLKXKOBZXOZ-PKJHOUIASA-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 | 7lrz5IfnXaG |
|---|---|
| Name | RACEMOSIDE-B;(25-S)-5-BETA-SPIROSTAN-3-BETA-OL-3-O-ALPHA-L-RHAMOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| 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(57-16-19)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)59-42-39(54)36(51)33(48)29(61-42)18-56-41-38(53)35(50)32(47)28(60-41)17-55-40-37(52)34(49)31(46)21(3)58-40/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 | SOLLLKXKOBZXOZ-PKJHOUIASA-N |
| Literature Reference Author | D.MANDAL,S.BANERJEE,N.B.MONDAL,A.K.CHAKRAVARTY,N.P.SAHU |
| Literature Reference Citation | PHYTOCHEM.,67,1316(2006) |
| Literature Reference DOI | 10.1016/j.phytochem.2006.04.005 |
| Molecular Weight | 887.072 g/mol |
| Sample ID | 41831 |
| Solvent | C5D5N |