| SpectraBase Compound ID | GmjK2GO0Tsi |
|---|---|
| InChI | InChI=1S/C22H27NO3/c1-20(2)7-5-8-21(3)18(20)6-9-22(4)19(21)14(12-23)13-10-15(24)16(25)11-17(13)26-22/h10-11,18-19,24H,5-9H2,1-4H3/t18-,19+,21-,22-/m0/s1 |
| InChIKey | QUGUMGCXHOUAOZ-MXNKGDRCSA-N |
| Mol Weight | 353.46 g/mol |
| Molecular Formula | C22H27NO3 |
| Exact Mass | 353.199094 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Fdy9aPXozeZ |
|---|---|
| Name | 15-Cyanopuupehenone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H27NO3 |
| InChI | InChI=1S/C22H27NO3/c1-20(2)7-5-8-21(3)18(20)6-9-22(4)19(21)14(12-23)13-10-15(24)16(25)11-17(13)26-22/h10-11,18-19,24H,5-9H2,1-4H3/t18-,19+,21-,22-/m0/s1 |
| InChIKey | QUGUMGCXHOUAOZ-MXNKGDRCSA-N |
| Molecular Weight | 353.462 g/mol |
| SMILES | OC1=CC2=C([C@@]3([C@@]4([C@@](C(C)(C)CCC4)([H])CC[C@@]3(OC2=CC1=O)C)C)[H])C#N |
| SPLASH | splash10-0udi-2891000000-0f544800764c585e5d6d |
| Source of Spectrum | J-58-6568-4 |
| Synonyms | (4aS,6aS,12aS,12bS)-10-hydroxy-4,4,6a,12b-tetramethyl-9-oxo-1,3,4,4a,5,6,6a,9,12a,12b-decahydro-2H-benzo[a]xanthene-12-carbonitrile (4aS,6aS,12aS,12bS)-10-hydroxy-4,4,6a,12b-tetramethyl-9-oxo-2,3,4a,5,6,12a-hexahydro-1H-benzo[a]xanthene-12-carbonitrile (4aS,6aS,12aS,12bS)-10-hydroxy-9-keto-4,4,6a,12b-tetramethyl-2,3,4a,5,6,12a-hexahydro-1H-benzo[a]xanthene-12-carbonitrile (4aS,6aS,12aS,12bS)-4,4,6a,12b-tetramethyl-10-oxidanyl-9-oxidanylidene-2,3,4a,5,6,12a-hexahydro-1H-benzo[a]xanthene-12-carbonitrile |
| Wiley ID | 1344091 |