| SpectraBase Compound ID | 5cc8rIdxWF6 |
|---|---|
| InChI | InChI=1S/C28H44O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-26-24(12-14-28(22,23)6)27(5)13-11-21(29)15-20(27)16-25(26)30/h16-17,19,21-24,26,29H,3,7-15H2,1-2,4-6H3/t19-,21+,22-,23+,24+,26+,27+,28-/m1/s1 |
| InChIKey | CGPZMGRJXFVBDD-LTOXSCOASA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C28H44O2 |
| Exact Mass | 412.334131 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2hf5hF520vS |
|---|---|
| Name | 3.beta.-Hydroxy-24-methylene-cholest-5-en-7-one |
| Alternate Name(s) | (3beta)-3-hydroxyergosta-5,24(28)-dien-7-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H44O2 |
| InChI | InChI=1S/C28H44O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-26-24(12-14-28(22,23)6)27(5)13-11-21(29)15-20(27)16-25(26)30/h16-17,19,21-24,26,29H,3,7-15H2,1-2,4-6H3/t19-,21+,22-,23+,24+,26+,27+,28-/m1/s1 |
| InChIKey | CGPZMGRJXFVBDD-LTOXSCOASA-N |
| Molecular Weight | 412.658 g/mol |
| SMILES | O[C@]1(CC[C@]2(C(C1)=CC([C@]1([C@@]3(CC[C@]([C@@](CCC(C(C)C)=C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])=O)C)[H] |
| SPLASH | splash10-0a4i-9013100000-a3e9fe4e03eafaf1855f |
| Source of Spectrum | X2-56-1969-15 |
| Wiley ID | 1605233 |