| SpectraBase Compound ID | DKqAoEiqzcw |
|---|---|
| InChI | InChI=1S/C41H62O4/c1-27-12-16-35-38(3,4)18-10-20-40(35,7)32(27)15-14-29(25-42)22-37(44-9)45-34-24-30(31(34)26-43)23-33-28(2)13-17-36-39(5,6)19-11-21-41(33,36)8/h14,25-26,32-37H,1-2,10-13,15-24H2,3-9H3/b29-14+/t32-,33-,34?,35-,36-,37?,40+,41+/m0/s1 |
| InChIKey | DRFPZBVYKVDYOL-KMNGVMKESA-N |
| Mol Weight | 618.9 g/mol |
| Molecular Formula | C41H62O4 |
| Exact Mass | 618.46481 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dtp9oElodJa |
|---|---|
| Name | CALCARATARIN_E |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H62O4 |
| InChI | InChI=1S/C41H62O4/c1-27-12-16-35-38(3,4)18-10-20-40(35,7)32(27)15-14-29(25-42)22-37(44-9)45-34-24-30(31(34)26-43)23-33-28(2)13-17-36-39(5,6)19-11-21-41(33,36)8/h14,25-26,32-37H,1-2,10-13,15-24H2,3-9H3/b29-14+/t32-,33-,34?,35-,36-,37?,40+,41+/m0/s1 |
| InChIKey | DRFPZBVYKVDYOL-KMNGVMKESA-N |
| Literature Reference Author | L.KONG,M.QIN,M.NIWA |
| Literature Reference Citation | PLANTA.MED.,68,813(2002) |
| Literature Reference DOI | 10.1055/s-2002-34404 |
| Molecular Weight | 618.941 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UIAP1827 |