| SpectraBase Compound ID | 1dgTWvZBVu4 |
|---|---|
| InChI | InChI=1S/C28H49NO/c1-18(2)7-6-8-19(3)23-9-10-24-26-20(17-29)15-21-16-22(30)11-13-27(21,4)25(26)12-14-28(23,24)5/h15,18-20,22-26,30H,6-14,16-17,29H2,1-5H3/t19-,20+,22+,23?,24+,25+,26+,27+,28-/m1/s1 |
| InChIKey | IVKRPGGEDMPRFE-AQVZXZKXSA-N |
| Mol Weight | 415.7 g/mol |
| Molecular Formula | C28H49NO |
| Exact Mass | 415.381415 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B2biXWGovUe |
|---|---|
| Name | 7-.alpha.-(Aminomethyl)cholesterol |
| Alternate Name(s) | (3beta,7alpha)-7-(aminomethyl)cholest-5-en-3-ol |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H49NO |
| InChI | InChI=1S/C28H49NO/c1-18(2)7-6-8-19(3)23-9-10-24-26-20(17-29)15-21-16-22(30)11-13-27(21,4)25(26)12-14-28(23,24)5/h15,18-20,22-26,30H,6-14,16-17,29H2,1-5H3/t19-,20+,22+,23?,24+,25+,26+,27+,28-/m1/s1 |
| InChIKey | IVKRPGGEDMPRFE-AQVZXZKXSA-N |
| Molecular Weight | 415.706 g/mol |
| SMILES | O[C@]1(CC[C@]2(C(=C[C@@](CN)([C@]3([C@]4([C@](CC[C@]23[H])(C(CC4)[C@@](CCCC(C)C)(C)[H])C)[H])[H])[H])C1)C)[H] |
| SPLASH | splash10-001i-0009100000-594071c91cb31d62712c |
| Source of Spectrum | SK-27-1959-8 |
| Wiley ID | 867869 |