| SpectraBase Compound ID | ItYMn2q8xcW |
|---|---|
| InChI | InChI=1S/C20H30O3/c1-13-7-6-9-20(5,23)10-8-15-16(19(15,3)4)12-14(2)18(22)17(21)11-13/h6,9,11-12,15-17,21,23H,7-8,10H2,1-5H3/b9-6+,13-11+,14-12+/t15-,16+,17+,20?/m0/s1 |
| InChIKey | DGENOXRJSTZHMV-PHGMAVPESA-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 | 6ntOBrxEqVE |
|---|---|
| Name | Agroskerin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H30O3 |
| InChI | InChI=1S/C20H30O3/c1-13-7-6-9-20(5,23)10-8-15-16(19(15,3)4)12-14(2)18(22)17(21)11-13/h6,9,11-12,15-17,21,23H,7-8,10H2,1-5H3/b9-6+,13-11+,14-12+/t15-,16+,17+,20?/m0/s1 |
| InChIKey | DGENOXRJSTZHMV-PHGMAVPESA-N |
| Molecular Weight | 318.457 g/mol |
| SMILES | O[C@]1(C(\C(=C\[C@@]2([C@](CCC(\C=C\C\C(=C\1)C)(O)C)(C2(C)C)[H])[H])C)=O)[H] |
| SPLASH | splash10-052f-9600000000-f3754a7ec4ab8a17e641 |
| Source of Spectrum | X2-51-11-4 |
| Synonyms | (1S,5E,8E,10R,12E,14R)-4,10-dihydroxy-4,8,12,15,15-pentamethyl-11-bicyclo[12.1.0]pentadeca-5,8,12-trienone (1S,5E,8E,10R,12E,14R)-4,10-dihydroxy-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-5,8,12-trien-11-one (1S,5E,8E,10R,12E,14R)-4,8,12,15,15-pentamethyl-4,10-bis(oxidanyl)bicyclo[12.1.0]pentadeca-5,8,12-trien-11-one |
| Wiley ID | 1602521 |