| SpectraBase Compound ID | ACA4sN6VW4D |
|---|---|
| InChI | InChI=1S/C29H49NO/c1-19(2)9-8-10-20(3)23-13-14-24-22-12-11-21-17-30-26(31)27(4,5)18-29(21,7)25(22)15-16-28(23,24)6/h17,19-20,22-25H,8-16,18H2,1-7H3,(H,30,31)/t20-,22+,23-,24+,25?,28-,29+/m1/s1 |
| InChIKey | DHQOHWNYVSWDFW-IRQRCLKOSA-N |
| Mol Weight | 427.7 g/mol |
| Molecular Formula | C29H49NO |
| Exact Mass | 427.381415 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | G0I5lH6ehBj |
|---|---|
| Name | 4-Aza-A-homocholest-4a-en-3-one |
| CAS Registry Number | 116515-97-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H49NO |
| InChI | InChI=1S/C29H49NO/c1-19(2)9-8-10-20(3)23-13-14-24-22-12-11-21-17-30-26(31)27(4,5)18-29(21,7)25(22)15-16-28(23,24)6/h17,19-20,22-25H,8-16,18H2,1-7H3,(H,30,31)/t20-,22+,23-,24+,25?,28-,29+/m1/s1 |
| InChIKey | DHQOHWNYVSWDFW-IRQRCLKOSA-N |
| Molecular Weight | 427.717 g/mol |
| SMILES | N1C(C(C[C@]2(C(=C1)CC[C@@]1(C2CC[C@@]2([C@](CC[C@@]12[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C)(C)C)=O |
| SPLASH | splash10-00di-0009400000-746b6cf27ebb82fe6011 |
| Source of Spectrum | KC-1988-325-8 |
| 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 | 1380485 |