| SpectraBase Compound ID | 6IByRcWgUZ2 |
|---|---|
| InChI | InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18,20,22-26,29H,3,7-8,10-17H2,1-2,4-6H3/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1/i1D/t18?,20-,22+,23+,24-,25+,26+,27+,28- |
| InChIKey | INDVLXYUCBVVKW-LQZSJKGPSA-N |
| Mol Weight | 399.7 g/mol |
| Molecular Formula | C28H452DO |
| Exact Mass | 399.361143 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LuIuq8sc3KD |
|---|---|
| Name | Ergosta-5,24(28)-dien-26-d-3-ol, (3.beta.)- |
| Alternate Name(s) | 26(27)-deuterio-24-methylidenecholesterol |
| CAS Registry Number | 104959-05-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H45DO |
| InChI | InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18,20,22-26,29H,3,7-8,10-17H2,1-2,4-6H3/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1/i1D/t18?,20-,22+,23+,24-,25+,26+,27+,28- |
| InChIKey | INDVLXYUCBVVKW-LQZSJKGPSA-N |
| Molecular Weight | 399.681 g/mol |
| SMILES | O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@@](CCC(=C)C(C[2D])C)(C)[H])[H])[H])C)[H])C)[H] |
| SPLASH | splash10-03k9-0098000000-6680c84c4b8beccb1536 |
| Source of Spectrum | F-42-4160-4 |
| Wiley ID | 1368821 |