| SpectraBase Compound ID | J5ni51fjGCl |
|---|---|
| InChI | InChI=1S/C29H44O2/c1-7-29(31)16-15-28(6)24-13-14-27(5)22(20(4)10-8-9-19(2)3)11-12-23(27)21(24)17-26(30)25(28)18-29/h1,17,19-20,22-25,31H,8-16,18H2,2-6H3/t20-,22-,23+,24+,25-,27-,28-,29-/m1/s1 |
| InChIKey | CLSMVOFGGKBBAP-NZTZOROSSA-N |
| Mol Weight | 424.7 g/mol |
| Molecular Formula | C29H44O2 |
| Exact Mass | 424.334131 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7lHnVZAk6Rv |
|---|---|
| Name | 3.beta.-Ethynyl-3.alpha.-hydroxy-5.alpha.-cholest-7-en-6-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H44O2 |
| InChI | InChI=1S/C29H44O2/c1-7-29(31)16-15-28(6)24-13-14-27(5)22(20(4)10-8-9-19(2)3)11-12-23(27)21(24)17-26(30)25(28)18-29/h1,17,19-20,22-25,31H,8-16,18H2,2-6H3/t20-,22-,23+,24+,25-,27-,28-,29-/m1/s1 |
| InChIKey | CLSMVOFGGKBBAP-NZTZOROSSA-N |
| Molecular Weight | 424.669 g/mol |
| SMILES | O[C@@]1(C#C)C[C@@]2(C(C=C3[C@@]([C@]2(CC1)C)(CC[C@]1([C@]3(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])=O)[H] |
| SPLASH | splash10-052k-0089300000-a9a1173df6469e2f418f |
| Source of Spectrum | AC-1993-737-10 |
| Synonyms | (3alpha,5alpha)-3-ethynyl-3-hydroxycholest-7-en-6-one |
| Wiley ID | 811610 |