| SpectraBase Compound ID | LzsZhOqv2J |
|---|---|
| InChI | InChI=1S/C27H47NO/c1-18(2)7-6-8-19(3)22-11-12-23-21-10-9-20-17-25(29)28-16-15-26(20,4)24(21)13-14-27(22,23)5/h18-24H,6-17H2,1-5H3,(H,28,29) |
| InChIKey | QJSFAHRXRVJDII-UHFFFAOYSA-N |
| Mol Weight | 401.7 g/mol |
| Molecular Formula | C27H47NO |
| Exact Mass | 401.365765 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JxR2KDbLGuY |
|---|---|
| Name | 3-Aza-A-homocholestan-4-one, (5.alpha.)- |
| Alternate Name(s) | 8-(1,5-Dimethylhexyl)-5a,7a-dimethylhexadecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-2(1H)-one Cyclopenta[5,6]naphth[1,2-d]azepin-2(1H)-one, 8.beta.-(1,5-dimethylhexyl)-3,4,5,5a,5b.alpha.,6,7,7a,8,9,10,10a.alpha.,10b.beta.,11,12,12a.alpha.-hexadecahydro-5a.beta.,7a.beta.-dimethyl- |
| CAS Registry Number | 20283-99-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H47NO |
| InChI | InChI=1S/C27H47NO/c1-18(2)7-6-8-19(3)22-11-12-23-21-10-9-20-17-25(29)28-16-15-26(20,4)24(21)13-14-27(22,23)5/h18-24H,6-17H2,1-5H3,(H,28,29) |
| InChIKey | QJSFAHRXRVJDII-UHFFFAOYSA-N |
| Molecular Weight | 401.679 g/mol |
| SMILES | N1C(CC2CCC3C(C2(CC1)C)CCC1(C3CCC1C(CCCC(C)C)C)C)=O |
| SPLASH | splash10-0udi-9762700000-d589f6a76b41946f9d87 |
| Source of Spectrum | T-68-5355-0 |
| Wiley ID | 57262 |