| SpectraBase Compound ID | I2yWIaCdHX3 |
|---|---|
| InChI | InChI=1S/C40H44O20/c1-4-21-22-13-14-51-36(49)24(22)16-53-38(21)60-40-34(59-35(48)20-9-6-5-7-10-20)33(54-19(3)43)32(27(57-40)17-52-18(2)42)58-37(50)23-11-8-12-25(28(23)44)55-39-31(47)30(46)29(45)26(15-41)56-39/h4-12,16,21-22,26-27,29-34,38-41,44-47H,1,13-15,17H2,2-3H3 |
| InChIKey | SABFJVXXJPRXKP-UHFFFAOYSA-N |
| Mol Weight | 844.8 g/mol |
| Molecular Formula | C40H44O20 |
| Exact Mass | 844.242594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E96VFomPFPB |
|---|---|
| Name | Scabraside |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C40H44O20 |
| InChI | InChI=1S/C40H44O20/c1-4-21-22-13-14-51-36(49)24(22)16-53-38(21)60-40-34(59-35(48)20-9-6-5-7-10-20)33(54-19(3)43)32(27(57-40)17-52-18(2)42)58-37(50)23-11-8-12-25(28(23)44)55-39-31(47)30(46)29(45)26(15-41)56-39/h4-12,16,21-22,26-27,29-34,38-41,44-47H,1,13-15,17H2,2-3H3 |
| InChIKey | SABFJVXXJPRXKP-UHFFFAOYSA-N |
| Instrument Name | Jeol FX-200 |
| Literature Reference | Y. Ikeshiro, Y. Tomita, Planta Medica 48, 169 (1983). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |