| SpectraBase Compound ID | LfS2bLNpyNL |
|---|---|
| InChI | InChI=1S/C35H56O8/c1-20(36)41-22-18-24-32(6)14-12-25(42-28(39)19-27(37)38)30(2,3)23(32)11-16-33(24,7)34(8)15-10-21(29(22)34)35(9)17-13-26(43-35)31(4,5)40/h21-26,29,40H,10-19H2,1-9H3,(H,37,38)/t21?,22?,23?,24?,25-,26?,29?,32+,33-,34-,35?/m1/s1 |
| InChIKey | RLVAVWQAAQFUOP-PEBAISEGSA-N |
| Mol Weight | 604.8 g/mol |
| Molecular Formula | C35H56O8 |
| Exact Mass | 604.397519 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L00o3H46tdQ |
|---|---|
| Name | 3-ALPHA-PAPYRIFERIC_ACID |
| Compound Number | C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H56O8 |
| InChI | InChI=1S/C35H56O8/c1-20(36)41-22-18-24-32(6)14-12-25(42-28(39)19-27(37)38)30(2,3)23(32)11-16-33(24,7)34(8)15-10-21(29(22)34)35(9)17-13-26(43-35)31(4,5)40/h21-26,29,40H,10-19H2,1-9H3,(H,37,38)/t21?,22?,23?,24?,25-,26?,29?,32+,33-,34-,35?/m1/s1 |
| InChIKey | RLVAVWQAAQFUOP-PEBAISEGSA-N |
| Literature Reference Author | U.HILPISCH,R.HARTMANN,K.-W.GLOMBITZA |
| Literature Reference Citation | PLANTA.MED.,63,347(1997) |
| Literature Reference DOI | 10.1055/s-2006-957698 |
| Molecular Weight | 604.825 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UIAP972 |