| SpectraBase Compound ID | 2jd3FYOk3UZ |
|---|---|
| InChI | InChI=1S/C31H40O11/c1-15-19(34)13-30(28(4,5)38)22(15)23(36)25(41-27(37)18-10-8-7-9-11-18)29(6)20(35)12-21-31(14-39-21,42-17(3)33)24(29)26(30)40-16(2)32/h7-11,19-21,23-26,34-36,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24-,25-,26-,29+,30-,31-/m0/s1 |
| InChIKey | IEMBQVLDTQOXFV-LPRGFTSCSA-N |
| Mol Weight | 588.7 g/mol |
| Molecular Formula | C31H40O11 |
| Exact Mass | 588.257062 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AGiJMnKCzvr |
|---|---|
| Name | Taxumairol K |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H40O11 |
| InChI | InChI=1S/C31H40O11/c1-15-19(34)13-30(28(4,5)38)22(15)23(36)25(41-27(37)18-10-8-7-9-11-18)29(6)20(35)12-21-31(14-39-21,42-17(3)33)24(29)26(30)40-16(2)32/h7-11,19-21,23-26,34-36,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24-,25-,26-,29+,30-,31-/m0/s1 |
| InChIKey | IEMBQVLDTQOXFV-LPRGFTSCSA-N |
| Molecular Weight | 588.650 g/mol |
| SMILES | O[C@]1(C[C@@]2([C@]([C@@]3([C@@]1([C@]([C@@](C=1[C@](C(O)(C)C)([C@]3(OC(=O)C)[H])C[C@@](C1C)(O)[H])(O)[H])(OC(=O)c1ccccc1)[H])C)[H])(CO2)OC(=O)C)[H])[H] |
| SPLASH | splash10-0a4i-0900000000-cee8a0b894ac4f9779f7 |
| Source of Spectrum | G4-61-840-1 |
| Wiley ID | 1607294 |