| SpectraBase Compound ID | IH4enLbHXiR |
|---|---|
| InChI | InChI=1S/C36H44O9/c1-19-23(22-12-13-41-17-22)14-24-29(19)36(5)25(15-28(40-6)44-24)35(4)27(45-33(39)21-10-8-7-9-11-21)16-26(43-20(2)37)34(3)18-42-30(31(34)35)32(36)38/h7-13,17,23-28,30-32,38H,14-16,18H2,1-6H3/t23-,24+,25-,26-,27+,28-,30-,31?,32-,34-,35+,36-/m1/s1 |
| InChIKey | QCDUZQJTCDFJLU-FTTDPDMWSA-N |
| Mol Weight | 620.7 g/mol |
| Molecular Formula | C36H44O9 |
| Exact Mass | 620.298533 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2MlI0RtVdk8 |
|---|---|
| Name | 1-Benzoylnimbolinin C. |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H44O9 |
| InChI | InChI=1S/C36H44O9/c1-19-23(22-12-13-41-17-22)14-24-29(19)36(5)25(15-28(40-6)44-24)35(4)27(45-33(39)21-10-8-7-9-11-21)16-26(43-20(2)37)34(3)18-42-30(31(34)35)32(36)38/h7-13,17,23-28,30-32,38H,14-16,18H2,1-6H3/t23-,24+,25-,26-,27+,28-,30-,31?,32-,34-,35+,36-/m1/s1 |
| InChIKey | QCDUZQJTCDFJLU-FTTDPDMWSA-N |
| Molecular Weight | 620.739 g/mol |
| SMILES | O[C@@]1([C@@]2(OC[C@]3(C2[C@@]([C@@]2([C@@]1(C1=C([C@](c4cocc4)(C[C@@]1(O[C@](C2)(OC)[H])[H])[H])C)C)[H])([C@](C[C@]3(OC(=O)C)[H])(OC(=O)c1ccccc1)[H])C)C)[H])[H] |
| SPLASH | splash10-052b-0910000000-12ada2e028a2572e83a4 |
| Source of Spectrum | E1-59-1006-1 |
| Wiley ID | 1705444 |