| SpectraBase Compound ID | 1a4WmIIrXYt |
|---|---|
| InChI | InChI=1S/C36H40O10/c1-20-29(34(5)15-13-27(38)46-33(3,4)25(34)18-28(39)41-7)30(43-21(2)37)31(44-32(40)22-11-9-8-10-12-22)35(6)24(23-14-16-42-19-23)17-26-36(20,35)45-26/h8-16,19,24-26,29-31H,1,17-18H2,2-7H3/t24-,25-,26+,29+,30+,31-,34-,35+,36+/m0/s1 |
| InChIKey | NUUVSGHNZUYEEL-WVRSFDRASA-N |
| Mol Weight | 632.7 g/mol |
| Molecular Formula | C36H40O10 |
| Exact Mass | 632.262147 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8hhhwoDrmvc |
|---|---|
| Name | Amotsangin E |
| Appearance | White powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H40O10 |
| InChI | InChI=1S/C36H40O10/c1-20-29(34(5)15-13-27(38)46-33(3,4)25(34)18-28(39)41-7)30(43-21(2)37)31(44-32(40)22-11-9-8-10-12-22)35(6)24(23-14-16-42-19-23)17-26-36(20,35)45-26/h8-16,19,24-26,29-31H,1,17-18H2,2-7H3/t24-,25-,26+,29+,30+,31-,34-,35+,36+/m0/s1 |
| InChIKey | NUUVSGHNZUYEEL-WVRSFDRASA-N |
| Instrument Name | Finnigan MAT 95 |
| Ionization Type | EI positive ion |
| Literature Reference DOI | 10.1021/np070476x |
| Molecular Weight | 632.706 g/mol |
| Optical Rotation | [a]D21 = +100.0 (c = 0.11, CHCl3) |
| Reported Formula | C36H40O10 |
| SMILES | [C@]1([C@@]([C@]2([C@@](C[C@@]3([C@@]2(C([C@]1([C@@]1([C@](C(C)(C)OC(=O)C=C1)(CC(=O)OC)[H])C)[H])=C)O3)[H])(c1cocc1)[H])C)(OC(=O)c1ccccc1)[H])(OC(=O)C)[H] |
| SPLASH | splash10-0a4i-1931100000-7e9c6ba84852710dbec3 |
| Source of Spectrum | G4-71-SM35-5 |
| Wiley ID | 1874648 |