| SpectraBase Compound ID | JkgeyOOTpbS |
|---|---|
| InChI | InChI=1S/C21H30O5/c1-11-13-4-5-17-20(3)10-14(26-12(2)22)8-15(19(24)25)16(20)6-7-21(17,9-13)18(11)23/h13-18,23H,1,4-10H2,2-3H3,(H,24,25)/t13?,14-,15-,16?,17+,18+,20-,21-/m1/s1 |
| InChIKey | JVBCRJSXTQSIBZ-JTVIDNTQSA-N |
| Mol Weight | 362.47 g/mol |
| Molecular Formula | C21H30O5 |
| Exact Mass | 362.209324 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JQWngJpzdlT |
|---|---|
| Name | 3-Acetyl-atractyligenin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30O5 |
| InChI | InChI=1S/C21H30O5/c1-11-13-4-5-17-20(3)10-14(26-12(2)22)8-15(19(24)25)16(20)6-7-21(17,9-13)18(11)23/h13-18,23H,1,4-10H2,2-3H3,(H,24,25)/t13?,14-,15-,16?,17+,18+,20-,21-/m1/s1 |
| InChIKey | JVBCRJSXTQSIBZ-JTVIDNTQSA-N |
| Molecular Weight | 362.466 g/mol |
| SMILES | OC([C@@]1(C[C@](C[C@]2([C@]3([C@]4(CC(C([C@@]4(O)[H])=C)CC3)CCC12)[H])C)(OC(=O)C)[H])[H])=O |
| SPLASH | splash10-0006-9201000000-acb114e140f095f97513 |
| Source of Spectrum | H-2005-2114-9 |
| Wiley ID | 1562802 |