| SpectraBase Compound ID | BAd2edLmoUB |
|---|---|
| InChI | InChI=1S/C23H36O7/c1-14(2)18(25)7-6-16(12-30-15(3)24)17-8-10-22(4)13-23(28,11-9-19(22)26)20(17)21(27)29-5/h6,17-20,25-26,28H,1,7-13H2,2-5H3/b16-6+/t17-,18?,19-,20+,22+,23-/m1/s1 |
| InChIKey | XXCNRYRAZQDXFI-YVNGBVCBSA-N |
| Mol Weight | 424.5 g/mol |
| Molecular Formula | C23H36O7 |
| Exact Mass | 424.246103 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A6GgWEc8kE2 |
|---|---|
| Name | UMBELLACIN_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H36O7 |
| InChI | InChI=1S/C23H36O7/c1-14(2)18(25)7-6-16(12-30-15(3)24)17-8-10-22(4)13-23(28,11-9-19(22)26)20(17)21(27)29-5/h6,17-20,25-26,28H,1,7-13H2,2-5H3/b16-6+/t17-,18?,19-,20+,22+,23-/m1/s1 |
| InChIKey | XXCNRYRAZQDXFI-YVNGBVCBSA-N |
| Literature Reference Author | A.A.H.ELGAMAL,S.K.WANG,C.Y.DUH |
| Literature Reference Citation | J.NAT.PROD.,69,338(2006) |
| Literature Reference DOI | 10.1021/np058093r |
| Molecular Weight | 424.535 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ18130 |