| SpectraBase Compound ID | CkomRgBkMMW |
|---|---|
| InChI | InChI=1S/C27H45NO/c1-18(2)7-6-8-19(3)22-11-12-23-21-10-9-20-17-28-25(29)14-16-26(20,4)24(21)13-15-27(22,23)5/h17-19,21-24H,6-16H2,1-5H3,(H,28,29) |
| InChIKey | ZNNOSFHGXSVOSC-UHFFFAOYSA-N |
| Mol Weight | 399.7 g/mol |
| Molecular Formula | C27H45NO |
| Exact Mass | 399.350115 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KgP1C7fKXD3 |
|---|---|
| Name | 4-Aza-A-homocholest-4a-en-3-one |
| CAS Registry Number | 21002-96-0 |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H45NO |
| InChI | InChI=1S/C27H45NO/c1-18(2)7-6-8-19(3)22-11-12-23-21-10-9-20-17-28-25(29)14-16-26(20,4)24(21)13-15-27(22,23)5/h17-19,21-24H,6-16H2,1-5H3,(H,28,29) |
| InChIKey | ZNNOSFHGXSVOSC-UHFFFAOYSA-N |
| Molecular Weight | 399.663 g/mol |
| SMILES | N1C(CCC2(C(=C1)CCC1C2CCC2(C1CCC2C(CCCC(C)C)C)C)C)=O |
| SPLASH | splash10-0002-0009200000-28759ef9c104adcf2f8b |
| Source of Spectrum | KC-1988-325-0 |
| Synonyms | 1-(1,5-dimethylhexyl)-10a,12a-dimethyl-2,3,3a,3b,4,5,7,9,10,10b,11,12-dodecahydro-1H-indeno[5,4-g][2]benzazepin-8-one Cyclopenta[5,6]naphth[2,1-c]azepin-3(2H)-one, 8.beta.-(1,5-dimethylhexyl)-4,5,5a,5b.alpha.,6,7,7a,8,9,10,10a.alpha.,10b.beta.,11,12-tetradecahydro-5a.beta.,7a.beta.-dimethyl- 8-(1,5-Dimethylhexyl)-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,8,9,10,10a,10b,11,12-tetradecahydrocyclopenta[5,6]naphtho[2,1-c]azepin-3(2H)-one 10a,12a-dimethyl-1-(6-methylheptan-2-yl)-2,3,3a,3b,4,5,7,9,10,10b,11,12-dodecahydro-1H-indeno[5,4-g][2]benzazepin-8-one |
| Wiley ID | 1369123 |