| SpectraBase Compound ID | IU16M4Nrmp9 |
|---|---|
| InChI | InChI=1S/C44H76O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-38(46)47-37-26-28-41(6)34(40(37,4)5)25-29-43(8)35(41)23-22-33-39-32(31(2)3)24-27-42(39,7)36(45)30-44(33,43)9/h32-37,39,45H,2,10-30H2,1,3-9H3 |
| InChIKey | IHCDDIKRSYLACI-UHFFFAOYSA-N |
| Mol Weight | 653.1 g/mol |
| Molecular Formula | C44H76O3 |
| Exact Mass | 652.579446 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DUmO6EZOMi |
|---|---|
| Name | CALENDULADIOL_3-MYRISTATE |
| Compound Number | 12B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H76O3 |
| InChI | InChI=1S/C44H76O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-38(46)47-37-26-28-41(6)34(40(37,4)5)25-29-43(8)35(41)23-22-33-39-32(31(2)3)24-27-42(39,7)36(45)30-44(33,43)9/h32-37,39,45H,2,10-30H2,1,3-9H3 |
| InChIKey | IHCDDIKRSYLACI-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 | 653.086 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ48509 |