| SpectraBase Compound ID | 4eFJEvF1p1U |
|---|---|
| InChI | InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25?,26+,27-/m1/s1/i13D,15D/t13?,15?,19-,21+,23-,24+,25?,26+,27- |
| InChIKey | UCTLRSWJYQTBFZ-TYVFBHILSA-N |
| Mol Weight | 386.7 g/mol |
| Molecular Formula | C27H422D2O |
| Exact Mass | 386.35177 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JCq5mlKWYRr |
|---|---|
| Name | Cholesta-5,7-dien-1,2-t2-3-ol, (3.beta.)- |
| CAS Registry Number | 130348-96-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42D2O |
| InChI | InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25?,26+,27-/m1/s1/i13D,15D/t13?,15?,19-,21+,23-,24+,25?,26+,27- |
| InChIKey | UCTLRSWJYQTBFZ-TYVFBHILSA-N |
| Molecular Weight | 386.660 g/mol |
| SMILES | O[C@@]1(CC2=CC=C3[C@]4([C@]([C@@]([C@@](CCCC(C)C)(C)[H])(CC4)[H])(C)CCC3[C@]2(C(C1[2D])[2D])C)[H])[H] |
| SPLASH | splash10-0f79-0309000000-b76766fca0fd4ba1a406 |
| Source of Spectrum | F-46-5313-2 |
| Synonyms | [1,2-(2)H(2)]-5,7-cholestadlen-3.beta.-ol |
| Wiley ID | 1362006 |