| SpectraBase Compound ID | 6Xs4WuIPiss |
|---|---|
| InChI | InChI=1S/C26H36O7/c1-15-8-9-22-23(26(22,7)14-31-18(4)27)13-17(3)25(30)24(33-20(6)29)12-16(2)11-21(10-15)32-19(5)28/h10,12-13,21-24H,8-9,11,14H2,1-7H3/b15-10-,16-12+,17-13+/t21-,22+,23-,24-,26+/m0/s1 |
| InChIKey | DROUDJIHBUIHSL-XQSLOOBTSA-N |
| Mol Weight | 460.6 g/mol |
| Molecular Formula | C26H36O7 |
| Exact Mass | 460.246103 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KSbEUoijEbz |
|---|---|
| Name | 17-Hydroxy-Agrostistachin - 4,14,17-Triacetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H36O7 |
| InChI | InChI=1S/C26H36O7/c1-15-8-9-22-23(26(22,7)14-31-18(4)27)13-17(3)25(30)24(33-20(6)29)12-16(2)11-21(10-15)32-19(5)28/h10,12-13,21-24H,8-9,11,14H2,1-7H3/b15-10-,16-12+,17-13+/t21-,22+,23-,24-,26+/m0/s1 |
| InChIKey | DROUDJIHBUIHSL-XQSLOOBTSA-N |
| Molecular Weight | 460.567 g/mol |
| SMILES | [C@@]12([C@@](COC(=O)C)(C)[C@@]2(CC\C(=C/[C@](OC(=O)C)(C\C(=C\[C@@](C(\C(=C\1)C)=O)(OC(=O)C)[H])C)[H])C)[H])[H] |
| SPLASH | splash10-0006-9420000000-b94b4f825f9e28eda109 |
| Source of Spectrum | X2-51-115-6 |
| Wiley ID | 1602522 |