| SpectraBase Compound ID | 4QehNZzKEok |
|---|---|
| InChI | InChI=1S/C27H34O5/c1-24-12-13-27(16-24)18(15-20(24)28)14-19(32-22(29)17-8-5-4-6-9-17)21-25(2,23(30)31)10-7-11-26(21,27)3/h4-6,8-9,18-19,21H,7,10-16H2,1-3H3,(H,30,31)/t18?,19-,21+,24+,25-,26+,27+/m1/s1 |
| InChIKey | DQBAMWXMUCSBLO-VVEZNLLJSA-N |
| Mol Weight | 438.6 g/mol |
| Molecular Formula | C27H34O5 |
| Exact Mass | 438.240624 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8j7FUZm3JqL |
|---|---|
| Name | SCOPADULCIC-ACID-B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H34O5 |
| InChI | InChI=1S/C27H34O5/c1-24-12-13-27(16-24)18(15-20(24)28)14-19(32-22(29)17-8-5-4-6-9-17)21-25(2,23(30)31)10-7-11-26(21,27)3/h4-6,8-9,18-19,21H,7,10-16H2,1-3H3,(H,30,31)/t18?,19-,21+,24+,25-,26+,27+/m1/s1 |
| InChIKey | DQBAMWXMUCSBLO-VVEZNLLJSA-N |
| Literature Reference Author | T.HAYASHI,S.ASANO,M.MIZUTANI,N.TAKEGUCHI,T.KOJIMA,K.OKAMURA, N.MORITA |
| Literature Reference Citation | J.NAT.PROD.,54,802(1991) |
| Literature Reference DOI | 10.1021/np50075a008 |
| Molecular Weight | 438.564 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS4675 |