| SpectraBase Compound ID | BAT25mrZXtY |
|---|---|
| InChI | InChI=1S/C30H46O9/c1-15-24(33)26(36-4)25(34)27(38-15)39-18-7-9-28(2)17(12-18)5-6-20-23(28)21(31)13-29(3)19(8-10-30(20,29)35)16-11-22(32)37-14-16/h11,15,17-21,23-27,31,33-35H,5-10,12-14H2,1-4H3/t15?,17?,18?,19?,20-,21-,23+,24?,25?,26?,27?,28-,29-,30+/m0/s1 |
| InChIKey | SOPZOCCINHAAOP-VRADTLMGSA-N |
| Mol Weight | 550.7 g/mol |
| Molecular Formula | C30H46O9 |
| Exact Mass | 550.314183 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Djoiiub9qH2 |
|---|---|
| Name | D-Digitalosyl-sarmentogenin |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C30H46O9 |
| InChI | InChI=1S/C30H46O9/c1-15-24(33)26(36-4)25(34)27(38-15)39-18-7-9-28(2)17(12-18)5-6-20-23(28)21(31)13-29(3)19(8-10-30(20,29)35)16-11-22(32)37-14-16/h11,15,17-21,23-27,31,33-35H,5-10,12-14H2,1-4H3/t15?,17?,18?,19?,20-,21-,23+,24?,25?,26?,27?,28-,29-,30+/m0/s1 |
| InChIKey | SOPZOCCINHAAOP-VRADTLMGSA-N |
| Instrument Name | SF = 400 MHz |
| Literature Reference | Phytochem. 26, 2351 (1987). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine-D5 |