| SpectraBase Compound ID | 40jwJbH4OfP |
|---|---|
| InChI | InChI=1S/C27H41NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h9,11,13,16-17,20-25,28,30H,5-8,10,12,14-15H2,1-4H3/t16?,17-,20-,21+,22+,23?,24?,25+,26+,27+/m1/s1 |
| InChIKey | ZYHLOWLEEZXROG-YFTJFLJKSA-N |
| Mol Weight | 411.6 g/mol |
| Molecular Formula | C27H41NO2 |
| Exact Mass | 411.31373 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9XwbNlnwtuR |
|---|---|
| Name | 22,26-Epimino-16-hydroxy-1,4-cholestadien-3-one |
| Alternate Name(s) | (16alpha,20S)-16-hydroxy-20-(5-methyl-2-piperidinyl)pregna-1,4-dien-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H41NO2 |
| InChI | InChI=1S/C27H41NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h9,11,13,16-17,20-25,28,30H,5-8,10,12,14-15H2,1-4H3/t16?,17-,20-,21+,22+,23?,24?,25+,26+,27+/m1/s1 |
| InChIKey | ZYHLOWLEEZXROG-YFTJFLJKSA-N |
| Molecular Weight | 411.630 g/mol |
| SMILES | N1CC(CCC1[C@]([C@]1(C(C[C@@]2([C@@]1(CC[C@@]1([C@@]3(C(CC[C@@]21[H])=CC(C=C3)=O)C)[H])C)[H])O)[H])(C)[H])C |
| SPLASH | splash10-0002-9201000000-5be327b76f273442e72b |
| Source of Spectrum | DO-0-94-3 |
| Wiley ID | 1374190 |