| SpectraBase Compound ID | 33ThaJaHbb2 |
|---|---|
| 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)5-6-20-19(28)8-10-29(3)23(16-11-22(32)37-14-16)21(31)13-30(20,29)35/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?/m1/s1 |
| InChIKey | CPFNIKYEDJFRAT-REAXIYPASA-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 | 3mrv9NC6pNO |
|---|---|
| Name | Gitoxigenin 3-O-B-D-digitaloside |
| 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)5-6-20-19(28)8-10-29(3)23(16-11-22(32)37-14-16)21(31)13-30(20,29)35/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?/m1/s1 |
| InChIKey | CPFNIKYEDJFRAT-REAXIYPASA-N |
| Instrument Name | Bruker WH-400 |
| Literature Reference | D. Krueger, M. Wichtl, Planta Medica 50, 168 (1984). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CD3OD |