| SpectraBase Compound ID | 5IxuhFvMGkC |
|---|---|
| InChI | InChI=1S/C28H40O12/c1-12-17(37-13(2)29)10-28(35)24(40-16(5)32)22-26(8,18(33)9-19(38-14(3)30)27(22)11-36-27)23(34)21(39-15(4)31)20(12)25(28,6)7/h17-19,21-24,33-35H,9-11H2,1-8H3/t17-,18-,19-,21+,22-,23-,24-,26+,27+,28+/m0/s1 |
| InChIKey | WJMBBODKITXTJA-HIRGMTDPSA-N |
| Mol Weight | 568.6 g/mol |
| Molecular Formula | C28H40O12 |
| Exact Mass | 568.251977 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8KVg5jUV6JY |
|---|---|
| Name | Taxumairol B |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H40O12 |
| InChI | InChI=1S/C28H40O12/c1-12-17(37-13(2)29)10-28(35)24(40-16(5)32)22-26(8,18(33)9-19(38-14(3)30)27(22)11-36-27)23(34)21(39-15(4)31)20(12)25(28,6)7/h17-19,21-24,33-35H,9-11H2,1-8H3/t17-,18-,19-,21+,22-,23-,24-,26+,27+,28+/m0/s1 |
| InChIKey | WJMBBODKITXTJA-HIRGMTDPSA-N |
| Molecular Weight | 568.616 g/mol |
| SMILES | O[C@]12C(C([C@]([C@@]([C@]3([C@@]([C@@]4([C@](C[C@@]3(O)[H])(OC(=O)C)[H])OC4)([C@@]2(OC(=O)C)[H])[H])C)(O)[H])(OC(=O)C)[H])=C([C@](C1)(OC(=O)C)[H])C)(C)C |
| SPLASH | splash10-0006-9600000000-9ad594cb73597752cf09 |
| Source of Spectrum | G4-59-176-2 |
| Wiley ID | 1606227 |