| SpectraBase Compound ID | 4lvWha8VhLa |
|---|---|
| InChI | InChI=1S/C34H34O15/c1-4-20-21-13-14-42-31(40)23(21)15-44-33(20)49-34-29(48-30(39)19-9-6-5-7-10-19)28(45-18(3)36)27(25(46-34)16-43-17(2)35)47-32(41)22-11-8-12-24(37)26(22)38/h4-12,15,20-21,25,27-29,33-34,37-38H,1,13-14,16H2,2-3H3 |
| InChIKey | IPCKHTRLBLDXPT-UHFFFAOYSA-N |
| Mol Weight | 682.6 g/mol |
| Molecular Formula | C34H34O15 |
| Exact Mass | 682.18977 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8lAXAJxyBUL |
|---|---|
| Name | Scabraside aglucone |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C34H34O15 |
| InChI | InChI=1S/C34H34O15/c1-4-20-21-13-14-42-31(40)23(21)15-44-33(20)49-34-29(48-30(39)19-9-6-5-7-10-19)28(45-18(3)36)27(25(46-34)16-43-17(2)35)47-32(41)22-11-8-12-24(37)26(22)38/h4-12,15,20-21,25,27-29,33-34,37-38H,1,13-14,16H2,2-3H3 |
| InChIKey | IPCKHTRLBLDXPT-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 |