| SpectraBase Compound ID | FRKZsE1YHhI |
|---|---|
| InChI | InChI=1S/C34H52O7/c1-19(28(37)38)34(39)15-12-23-22-10-11-26-30(6)18-24(40-20(2)35)27(41-21(3)36)29(4,5)25(30)13-14-33(26,9)31(22,7)16-17-32(23,34)8/h10,19,23-27,39H,11-18H2,1-9H3,(H,37,38)/t19?,23-,24+,25+,26-,27+,30?,31?,32?,33?,34-/m1/s1 |
| InChIKey | VRARYFMALGBKIW-XPZAGZSLSA-N |
| Mol Weight | 572.8 g/mol |
| Molecular Formula | C34H52O7 |
| Exact Mass | 572.371304 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FQMfrHmp4v1 |
|---|---|
| Name | DIACETATE-EMARGINELLIC-ACID |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H52O7 |
| InChI | InChI=1S/C34H52O7/c1-19(28(37)38)34(39)15-12-23-22-10-11-26-30(6)18-24(40-20(2)35)27(41-21(3)36)29(4,5)25(30)13-14-33(26,9)31(22,7)16-17-32(23,34)8/h10,19,23-27,39H,11-18H2,1-9H3,(H,37,38)/t19?,23-,24+,25+,26-,27+,30?,31?,32?,33?,34-/m1/s1 |
| InChIKey | VRARYFMALGBKIW-XPZAGZSLSA-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 | 572.783 g/mol |
| Sample ID | 66231 |
| Solvent | CDCl3:CD3OD |