| SpectraBase Compound ID | 7E7U1lTgAxu |
|---|---|
| InChI | InChI=1S/C33H42O10/c1-17(2)29(37)41-28-27(40-19(4)34)26(31(7)12-10-24(35)43-30(5,6)22(31)15-25(36)38-9)18(3)33-23(42-33)14-21(32(28,33)8)20-11-13-39-16-20/h10-13,16-17,21-23,26-28H,3,14-15H2,1-2,4-9H3/t21-,22-,23+,26+,27+,28-,31-,32+,33+/m0/s1 |
| InChIKey | IGDXTIYJGIXWPU-BCQXRMRSSA-N |
| Mol Weight | 598.7 g/mol |
| Molecular Formula | C33H42O10 |
| Exact Mass | 598.277798 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4KIxdFDBQI9 |
|---|---|
| Name | Amotsangin B |
| Appearance | White powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H42O10 |
| InChI | InChI=1S/C33H42O10/c1-17(2)29(37)41-28-27(40-19(4)34)26(31(7)12-10-24(35)43-30(5,6)22(31)15-25(36)38-9)18(3)33-23(42-33)14-21(32(28,33)8)20-11-13-39-16-20/h10-13,16-17,21-23,26-28H,3,14-15H2,1-2,4-9H3/t21-,22-,23+,26+,27+,28-,31-,32+,33+/m0/s1 |
| InChIKey | IGDXTIYJGIXWPU-BCQXRMRSSA-N |
| Instrument Name | Finnigan MAT 95 |
| Ionization Type | EI positive ion |
| Literature Reference DOI | 10.1021/np070476x |
| Molecular Weight | 598.689 g/mol |
| Optical Rotation | [a]D21 = +110.0 (c = 0.11, CHCl3) |
| Reported Formula | C33H42O10 |
| 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)C(C)C)[H])(OC(=O)C)[H] |
| SPLASH | splash10-05fs-4960100000-6ee50b6a798e7d5f8557 |
| Source of Spectrum | G4-71-SM20-2 |
| Wiley ID | 1874647 |