![Bicyclo[12.1.0]pentadec-2-ene-4,8-dione, 5-hydroxy-3,7,11,15,15-pentamethyl-, [1S-(1R*,2E,5S*,7R*,11S*,14S*)]-](/api/spectrum/DRTWRsoFPOI/structure.png?h=300&w=458 "Bicyclo[12.1.0]pentadec-2-ene-4,8-dione, 5-hydroxy-3,7,11,15,15-pentamethyl-, [1S-(1R*,2E,5S*,7R*,11S*,14S*)]-")
| SpectraBase Compound ID | 7NLnxARkiap |
|---|---|
| InChI | InChI=1S/C20H32O3/c1-12-6-8-15-16(20(15,4)5)10-14(3)19(23)18(22)11-13(2)17(21)9-7-12/h10,12-13,15-16,18,22H,6-9,11H2,1-5H3/b14-10-/t12-,13+,15-,16+,18-/m1/s1 |
| InChIKey | IHMBHDULEBMWFM-KANWZJHLSA-N |
| Mol Weight | 320.5 g/mol |
| Molecular Formula | C20H32O3 |
| Exact Mass | 320.235145 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DRTWRsoFPOI |
|---|---|
| Name | Bicyclo[12.1.0]pentadec-2-ene-4,8-dione, 5-hydroxy-3,7,11,15,15-pentamethyl-, [1S-(1R*,2E,5S*,7R*,11S*,14S*)]- |
| CAS Registry Number | 79875-61-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H32O3 |
| InChI | InChI=1S/C20H32O3/c1-12-6-8-15-16(20(15,4)5)10-14(3)19(23)18(22)11-13(2)17(21)9-7-12/h10,12-13,15-16,18,22H,6-9,11H2,1-5H3/b14-10-/t12-,13+,15-,16+,18-/m1/s1 |
| InChIKey | IHMBHDULEBMWFM-KANWZJHLSA-N |
| Molecular Weight | 320.473 g/mol |
| SMILES | O[C@]1(C(\C(=C/[C@@]2(C(C)(C)[C@@]2(CC[C@](CCC([C@](C1)(C)[H])=O)(C)[H])[H])[H])C)=O)[H] |
| SPLASH | splash10-0a5a-3921000000-cd99321d1bc07d6072ee |
| Source of Spectrum | KC-1981-2668-0 |
| Synonyms | (1S,5R,7S,11R,14R)-5-hydroxy-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadec-2-ene-4,8-dione Crotonitenone (1R,4R,8S,10R,12Z,14S)-10-hydroxy-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadec-12-ene-7,11-dione (1R,4R,8S,10R,12Z,14S)-10-hydroxy-4,8,12,15,15-pentamethyl-bicyclo[12.1.0]pentadec-12-ene-7,11-dione (1R,4R,8S,10R,12Z,14S)-4,8,12,15,15-pentamethyl-10-oxidanyl-bicyclo[12.1.0]pentadec-12-ene-7,11-dione |
| Wiley ID | 1320411 |