| SpectraBase Compound ID | B848CuFcMdq |
|---|---|
| InChI | InChI=1S/C20H30O3/c1-17(2)14-6-9-19-10-13(20(23,11-19)12-21)4-5-15(19)18(14,3)8-7-16(17)22/h7-8,13-15,21,23H,4-6,9-12H2,1-3H3/t13?,14?,15?,18-,19+,20+/m1/s1 |
| InChIKey | JZXWITIZXDCGSC-IRMLKAHTSA-N |
| Mol Weight | 318.46 g/mol |
| Molecular Formula | C20H30O3 |
| Exact Mass | 318.219495 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CtfwTteqbUE |
|---|---|
| Name | 1,2-Dehydro-abbeokutone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H30O3 |
| InChI | InChI=1S/C20H30O3/c1-17(2)14-6-9-19-10-13(20(23,11-19)12-21)4-5-15(19)18(14,3)8-7-16(17)22/h7-8,13-15,21,23H,4-6,9-12H2,1-3H3/t13?,14?,15?,18-,19+,20+/m1/s1 |
| InChIKey | JZXWITIZXDCGSC-IRMLKAHTSA-N |
| Molecular Weight | 318.457 g/mol |
| SMILES | O[C@]1(CO)C[C@@]23C([C@]4(C(C(C)(C)C(C=C4)=O)CC3)C)CCC1C2 |
| SPLASH | splash10-00kr-0968000000-69abf0aa18d8e465d84e |
| Source of Spectrum | X2-54-1129-2 |
| Wiley ID | 1604171 |