| SpectraBase Compound ID | ExqIUVahAKX |
|---|---|
| InChI | InChI=1S/C27H42O/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/h10,13,15,18-20,23-25H,6-9,11-12,14,16-17H2,1-5H3/t19-,20-,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | PZMMQWPKNDDCII-GFWJTQLASA-N |
| Mol Weight | 382.6 g/mol |
| Molecular Formula | C27H42O |
| Exact Mass | 382.323566 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Lc60gnqswGq |
|---|---|
| Name | 5.beta.-cholesta-1,7-dien-3-one |
| Alternate Name(s) | (5beta)-cholesta-1,7-dien-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42O |
| InChI | InChI=1S/C27H42O/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/h10,13,15,18-20,23-25H,6-9,11-12,14,16-17H2,1-5H3/t19-,20-,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | PZMMQWPKNDDCII-GFWJTQLASA-N |
| Molecular Weight | 382.632 g/mol |
| SMILES | C=12[C@]3([C@]([C@@]([C@@](CCCC(C)C)(C)[H])(CC3)[H])(C)CC[C@@]2([C@]2(C=CC(C[C@]2(CC1)[H])=O)C)[H])[H] |
| SPLASH | splash10-0089-7329000000-191d8406b3a3c5c4b3ab |
| Source of Spectrum | F-47-7078-5 |
| Wiley ID | 1360908 |