| SpectraBase Compound ID | 5ZoOkbqR3eY |
|---|---|
| InChI | InChI=1S/C46H80O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(48)49-39-27-28-44(7)36(42(39,4)5)26-29-45(8)37(44)25-24-34-35-32-41(2,3)30-31-43(35,6)38(47)33-46(34,45)9/h24,35-39,47H,10-23,25-33H2,1-9H3 |
| InChIKey | BPAWXSVOAOLSRP-UHFFFAOYSA-N |
| Mol Weight | 681.1 g/mol |
| Molecular Formula | C46H80O3 |
| Exact Mass | 680.610746 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GLZ0Y14U3Z4 |
|---|---|
| Name | MARILADIOL_3-PALMITATE |
| Compound Number | 9C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H80O3 |
| InChI | InChI=1S/C46H80O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(48)49-39-27-28-44(7)36(42(39,4)5)26-29-45(8)37(44)25-24-34-35-32-41(2,3)30-31-43(35,6)38(47)33-46(34,45)9/h24,35-39,47H,10-23,25-33H2,1-9H3 |
| InChIKey | BPAWXSVOAOLSRP-UHFFFAOYSA-N |
| Literature Reference Author | T.J.SCHMIDT,J.VONRAISON,G.WILLUHN |
| Literature Reference Citation | PLANTA.MED.,70,967(2004) |
| Literature Reference DOI | 10.1055/s-2004-832624 |
| Molecular Weight | 681.139 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ48500 |