| SpectraBase Compound ID | H3f8eYr8NZb |
|---|---|
| InChI | InChI=1S/C44H84O2/c1-34(2)20-13-22-37(7)24-15-26-39(9)27-16-28-40(10)30-18-32-42-44(12,46-43(45-42)36(5)6)33-19-31-41(11)29-17-25-38(8)23-14-21-35(3)4/h30,34-35,37-39,41-43H,5,13-29,31-33H2,1-4,6-12H3/b40-30+/t37-,38-,39-,41-,42-,43+,44+/m1/s1 |
| InChIKey | CZZYNHBIVMZWFG-OWGZVKAESA-N |
| Mol Weight | 645.2 g/mol |
| Molecular Formula | C44H84O2 |
| Exact Mass | 644.647132 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LmaUEtf1sPT |
|---|---|
| Name | CZZYNHBIVMZWFG-OWGZVKAESA-N |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H84O2 |
| InChI | InChI=1S/C44H84O2/c1-34(2)20-13-22-37(7)24-15-26-39(9)27-16-28-40(10)30-18-32-42-44(12,46-43(45-42)36(5)6)33-19-31-41(11)29-17-25-38(8)23-14-21-35(3)4/h30,34-35,37-39,41-43H,5,13-29,31-33H2,1-4,6-12H3/b40-30+/t37-,38-,39-,41-,42-,43+,44+/m1/s1 |
| InChIKey | CZZYNHBIVMZWFG-OWGZVKAESA-N |
| Literature Reference Author | O.BERTHEAS,P.METZGER,C.LARGEAU |
| Literature Reference Citation | PHYTOCHEM.,50,85(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00481-6 |
| Molecular Weight | 645.150 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN11107 |