| SpectraBase Compound ID | 59VGV1WD1RZ |
|---|---|
| InChI | InChI=1S/C28H42O/c1-8-23(29)17-22-11-12-25-24(21(22)6)15-16-28(7)26(13-14-27(25)28)20(5)10-9-19(4)18(2)3/h9-12,18-20,26-27H,8,13-17H2,1-7H3/b10-9+ |
| InChIKey | WPDLGEBCSHPTCS-MDZDMXLPSA-N |
| Mol Weight | 394.6 g/mol |
| Molecular Formula | C28H42O |
| Exact Mass | 394.323566 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BAojHHR1PU4 |
|---|---|
| Name | 1,10-Secoergosta-5,7,9,22-tetraen-3-one |
| CAS Registry Number | 14712-49-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H42O |
| InChI | InChI=1S/C28H42O/c1-8-23(29)17-22-11-12-25-24(21(22)6)15-16-28(7)26(13-14-27(25)28)20(5)10-9-19(4)18(2)3/h9-12,18-20,26-27H,8,13-17H2,1-7H3/b10-9+ |
| InChIKey | WPDLGEBCSHPTCS-MDZDMXLPSA-N |
| Molecular Weight | 394.643 g/mol |
| SMILES | CCC(=O)Cc1c(C)c2c(cc1)C1CCC(C(C)\C=C\C(C)C(C)C)C1(C)CC2 |
| SPLASH | splash10-05n3-6956000000-50b66f562368d2449460 |
| Source of Spectrum | AD-0-317-0 |
| Synonyms | 1-(3a,6-Dimethyl-3-[(2E)-1,4,5-trimethyl-2-hexenyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-7-yl)-2-butanone 1-[3-[(E)-5,6-dimethylhept-3-en-2-yl]-3a,6-dimethyl-1,2,3,4,5,9b-hexahydrocyclopenta[a]naphthalen-7-yl]-2-butanone 1-[3-[(E)-5,6-dimethylhept-3-en-2-yl]-3a,6-dimethyl-1,2,3,4,5,9b-hexahydrocyclopenta[a]naphthalen-7-yl]butan-2-one 1-[3a,6-dimethyl-3-[(E)-1,4,5-trimethylhex-2-enyl]-1,2,3,4,5,9b-hexahydrobenz[e]inden-7-yl]butan-2-one 1-[3a,6-dimethyl-3-[(E)-1,4,5-trimethylhex-2-enyl]-1,2,3,4,5,9b-hexahydrocyclopenta[a]naphthalen-7-yl]butan-2-one |
| Wiley ID | 56644 |