| SpectraBase Compound ID | 5zQpcu4XnLP |
|---|---|
| InChI | InChI=1S/C36H52O9/c1-14-28-19(5)31(40)23(9)36(44-28)25(11)35(43-27(13)38)21(7)30(39)17(3)16-18(4)33-22(8)32(41)24(10)34(45-33)20(6)29(15-2)42-26(12)37/h16,18,20-21,25,29-30,35,39H,14-15H2,1-13H3/b17-16+/t18-,20+,21+,25-,29+,30-,35-/m1/s1 |
| InChIKey | UUAVOMRKSKLDKC-BORUIIQRSA-N |
| Mol Weight | 628.8 g/mol |
| Molecular Formula | C36H52O9 |
| Exact Mass | 628.361133 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LasGo5Fd6Xk |
|---|---|
| Name | Onchitriol I I D |
| CAS Registry Number | 85589-35-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H52O9 |
| InChI | InChI=1S/C36H52O9/c1-14-28-19(5)31(40)23(9)36(44-28)25(11)35(43-27(13)38)21(7)30(39)17(3)16-18(4)33-22(8)32(41)24(10)34(45-33)20(6)29(15-2)42-26(12)37/h16,18,20-21,25,29-30,35,39H,14-15H2,1-13H3/b17-16+/t18-,20+,21+,25-,29+,30-,35-/m1/s1 |
| InChIKey | UUAVOMRKSKLDKC-BORUIIQRSA-N |
| Literature Reference DOI | 10.1021/jo00043a018 |
| Molecular Weight | 628.803 g/mol |
| SMILES | O[C@](\C(=C\[C@](C1=C(C(C(C)=C(O1)[C@]([C@@](OC(=O)C)(CC)[H])(C)[H])=O)C)(C)[H])C)([C@@]([C@]([C@](C1=C(C(=O)C(=C(O1)CC)C)C)(C)[H])(OC(=O)C)[H])(C)[H])[H] |
| SPLASH | splash10-001j-0942000000-adb3de7a77481d249d55 |
| Source of Spectrum | J-57-4631-13 |
| Wiley ID | 1412003 |