| SpectraBase Compound ID | 2qxLH0Vq8dg |
|---|---|
| InChI | InChI=1S/C40H56O8/c1-24-14-19-40(34(44)45)21-20-37(4)26(33(40)39(24,6)46)10-12-30-35(2)17-16-31(42)36(3,29(35)15-18-38(30,37)5)23-48-32(43)13-9-25-8-11-27(41)28(22-25)47-7/h8-11,13,22,24,29-31,33,41-42,46H,12,14-21,23H2,1-7H3,(H,44,45)/b13-9+/t24-,29-,30-,31-,33+,35-,36+,37+,38+,39-,40-/m1/s1 |
| InChIKey | YVIFDAOBWCJGOU-FBBZNXQYSA-N |
| Mol Weight | 664.9 g/mol |
| Molecular Formula | C40H56O8 |
| Exact Mass | 664.397519 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6fbnrIiZOt8 |
|---|---|
| Name | 3.beta.,19-Dihydroxy-24-trans-ferulyloxy-urs-12-en-28-oic-acid |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C40H56O8 |
| InChI | InChI=1S/C40H56O8/c1-24-14-19-40(34(44)45)21-20-37(4)26(33(40)39(24,6)46)10-12-30-35(2)17-16-31(42)36(3,29(35)15-18-38(30,37)5)23-48-32(43)13-9-25-8-11-27(41)28(22-25)47-7/h8-11,13,22,24,29-31,33,41-42,46H,12,14-21,23H2,1-7H3,(H,44,45)/b13-9+/t24-,29-,30-,31-,33+,35-,36+,37+,38+,39-,40-/m1/s1 |
| InChIKey | YVIFDAOBWCJGOU-FBBZNXQYSA-N |
| Instrument Name | SF = 360 MHz |
| Literature Reference | J. Nat. Products 50, 63 (1987). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |