| SpectraBase Compound ID | LLEemny1Cru |
|---|---|
| InChI | InChI=1S/C36H52O9/c1-14-28(39)19(5)34-23(9)31(41)21(7)32(45-34)17(3)16-18(4)33(42-26(12)37)24(10)36(43-27(13)38)25(11)35-22(8)30(40)20(6)29(15-2)44-35/h16-17,19,24-25,28,33,36,39H,14-15H2,1-13H3/b18-16+/t17-,19+,24+,25-,28-,33?,36?/m0/s1 |
| InChIKey | AVVQUXMPMAVZQC-WGLQCGAUSA-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 | H9D64akCY48 |
|---|---|
| Name | Onchitrio I A |
| CAS Registry Number | 142132-12-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H52O9 |
| InChI | InChI=1S/C36H52O9/c1-14-28(39)19(5)34-23(9)31(41)21(7)32(45-34)17(3)16-18(4)33(42-26(12)37)24(10)36(43-27(13)38)25(11)35-22(8)30(40)20(6)29(15-2)44-35/h16-17,19,24-25,28,33,36,39H,14-15H2,1-13H3/b18-16+/t17-,19+,24+,25-,28-,33?,36?/m0/s1 |
| InChIKey | AVVQUXMPMAVZQC-WGLQCGAUSA-N |
| Molecular Weight | 628.803 g/mol |
| SMILES | O[C@]([C@](C=1OC([C@](\C=C\(C([C@](C([C@](C2=C(C(=O)C(=C(O2)CC)C)C)(C)[H])OC(=O)C)(C)[H])OC(=O)C)C)(C)[H])=C(C(=O)C1C)C)(C)[H])(CC)[H] |
| SPLASH | splash10-00ai-0930272000-6ff86021798b9d59b20d |
| Source of Spectrum | J-57-4631-5 |
| Wiley ID | 1412004 |