| SpectraBase Compound ID | HIVXfaFfy15 |
|---|---|
| InChI | InChI=1S/C27H45NO2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(29)15-19(26)16-24(30)28-25/h16-18,20-23,25,29H,6-15H2,1-5H3,(H,28,30)/t18-,20+,21-,22+,23+,25+,26+,27-/m1/s1 |
| InChIKey | BZVJNAKFZTXRNY-ABXCMAEBSA-N |
| Mol Weight | 415.7 g/mol |
| Molecular Formula | C27H45NO2 |
| Exact Mass | 415.34503 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Lnt3ppALcaJ |
|---|---|
| Name | 7a-Aza-B-homocholest-5-en-7-one, 3-hydroxy-, (3.beta.)- |
| CAS Registry Number | 17398-64-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H45NO2 |
| InChI | InChI=1S/C27H45NO2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(29)15-19(26)16-24(30)28-25/h16-18,20-23,25,29H,6-15H2,1-5H3,(H,28,30)/t18-,20+,21-,22+,23+,25+,26+,27-/m1/s1 |
| InChIKey | BZVJNAKFZTXRNY-ABXCMAEBSA-N |
| Molecular Weight | 415.662 g/mol |
| SMILES | N1C(C=C2[C@](CC[C@@](C2)(O)[H])([C@]2(CC[C@]3([C@]([C@]12[H])(CC[C@@]3([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])C)=O |
| SPLASH | splash10-00di-0691600000-d70f7aa9284f839c0532 |
| Source of Spectrum | O6-0-1109-0 |
| Synonyms | (1R,3aR,3bS,8S,10aR,10bR,12aR)-1-[(1R)-1,5-dimethylhexyl]-8-hydroxy-10a,12a-dimethyl-2,3,3a,3b,4,7,8,9,10,10a,10b,11,12,12a-tetradecahydroindeno[5,4-a][3]benzazepin-5(1H)-one 3.beta.-hydroxy-7a-aza-b-homocholest-5-en-7-one Benz[d]indeno[4,5-b]azepin-5(1H)-one, 1.beta.-(1,5-dimethylhexyl)-2,3,3a.alpha.,3b.beta.,4,7,8,9,10,10a,10b.alpha.,11,12,12a-tetradecahydro-8.beta.-hydroxy-10a.beta.,12a.beta.-dimethyl- |
| Wiley ID | 1376081 |