| SpectraBase Compound ID | Ebk6tRUC2Ab |
|---|---|
| InChI | InChI=1S/C30H48O5/c1-17(24(33)34)30(35)13-10-19-18-8-9-22-26(4)16-20(31)23(32)25(2,3)21(26)11-12-29(22,7)27(18,5)14-15-28(19,30)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17?,19-,20+,21+,22-,23+,26+,27-,28-,29-,30-/m1/s1 |
| InChIKey | JWQDJXFGFNQZNP-AOHQENRJSA-N |
| Mol Weight | 488.7 g/mol |
| Molecular Formula | C30H48O5 |
| Exact Mass | 488.350175 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JXQ3it48Xks |
|---|---|
| Name | EMARGINELLIC-ACID;2-BETA,3-BETA,21-TRIHYDROXY-ARBOR-12-ENE-28-CARBOXYLIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H48O5 |
| InChI | InChI=1S/C30H48O5/c1-17(24(33)34)30(35)13-10-19-18-8-9-22-26(4)16-20(31)23(32)25(2,3)21(26)11-12-29(22,7)27(18,5)14-15-28(19,30)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17?,19-,20+,21+,22-,23+,26+,27-,28-,29-,30-/m1/s1 |
| InChIKey | JWQDJXFGFNQZNP-AOHQENRJSA-N |
| Literature Reference Author | B.AHMED,T.A.AL-HOWIRINY,J.S.MOSSA |
| Literature Reference Citation | PHYTOCHEM.,67,956(2006) |
| Literature Reference DOI | 10.1016/j.phytochem.2006.02.019 |
| Molecular Weight | 488.708 g/mol |
| Sample ID | 66230 |
| Solvent | CDCl3:CD3OD |