| SpectraBase Compound ID | 1j0BJiIGLrT |
|---|---|
| InChI | InChI=1S/C46H80O4/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-40(49)50-39-26-27-43(6)36(42(39,4)5)25-28-44(7)37(43)24-23-34-35-31-41(2,3)29-30-46(35,33-47)38(48)32-45(34,44)8/h23,35-39,47-48H,9-22,24-33H2,1-8H3/t35-,36+,37?,38+,39+,43+,44-,45-,46?/m1/s1 |
| InChIKey | OPGQHWKKODQISN-HSPHJOGHSA-N |
| Mol Weight | 697.1 g/mol |
| Molecular Formula | C46H80O4 |
| Exact Mass | 696.605661 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DcGYR3DirK2 |
|---|---|
| Name | 3-BETA-O-PALMITYL-LONGISPINOGENIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H80O4 |
| InChI | InChI=1S/C46H80O4/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-40(49)50-39-26-27-43(6)36(42(39,4)5)25-28-44(7)37(43)24-23-34-35-31-41(2,3)29-30-46(35,33-47)38(48)32-45(34,44)8/h23,35-39,47-48H,9-22,24-33H2,1-8H3/t35-,36+,37?,38+,39+,43+,44-,45-,46?/m1/s1 |
| InChIKey | OPGQHWKKODQISN-HSPHJOGHSA-N |
| Literature Reference Author | G.MORALES,J.L.MCLAUGHLIN |
| Literature Reference Citation | J.NAT.PROD.,52,381(1989) |
| Literature Reference DOI | 10.1021/np50062a028 |
| Molecular Weight | 697.139 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS1155 |