![[2,4,4-2H(3)]TrideuterioIcholest-1-en-3-one](/api/spectrum/5G11nDIzpVI/structure.png?h=300&w=458 "[2,4,4-2H(3)]TrideuterioIcholest-1-en-3-one")
| SpectraBase Compound ID | JMJh8y4fFxD |
|---|---|
| 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/h13,15,18-20,22-25H,6-12,14,16-17H2,1-5H3/t19-,20+,22+,23-,24+,25+,26+,27-/m1/s1/i13D,17D2 |
| InChIKey | IIPHPVVRBVBREZ-VBQRQJRPSA-N |
| Mol Weight | 387.7 g/mol |
| Molecular Formula | C27H41D3O |
| Exact Mass | 387.358046 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5G11nDIzpVI |
|---|---|
| Name | [2,4,4-2H(3)]TrideuterioIcholest-1-en-3-one |
| Alternate Name(s) | TrideuterioIcholest-1-en-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H41D3O |
| 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/h13,15,18-20,22-25H,6-12,14,16-17H2,1-5H3/t19-,20+,22+,23-,24+,25+,26+,27-/m1/s1/i13D,17D2 |
| InChIKey | IIPHPVVRBVBREZ-VBQRQJRPSA-N |
| Molecular Weight | 387.666 g/mol |
| SMILES | [C@@]12([C@](C(C(=O)C(=C2)[D])([D])[D])(CC[C@]2([C@]3([C@]([C@]([C@@](CCCC(C)C)(C)[H])([H])CC3)(C)CC[C@]12[H])[H])[H])[H])C |
| SPLASH | splash10-0f7c-0009000000-8941c544eb5a5348ccb3 |
| Source of Spectrum | KC-1992-431-5 |
| Wiley ID | 776129 |