| SpectraBase Compound ID | 9QEJ5Z18LG5 |
|---|---|
| InChI | InChI=1S/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h16-18,21-24H,5-15H2,1-4H3,(H,29,30) |
| InChIKey | PSXQJZDFWDKBIP-UHFFFAOYSA-N |
| Mol Weight | 414.6 g/mol |
| Molecular Formula | C27H42O3 |
| Exact Mass | 414.313395 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Fj6OgReazXC |
|---|---|
| Name | Cholest-4-en-26-oic acid, 3-oxo- |
| CAS Registry Number | 23017-97-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42O3 |
| InChI | InChI=1S/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h16-18,21-24H,5-15H2,1-4H3,(H,29,30) |
| InChIKey | PSXQJZDFWDKBIP-UHFFFAOYSA-N |
| Molecular Weight | 414.630 g/mol |
| SMILES | OC(C(CCCC(C1C2(C)C(C3C(CC2)C2(C)C(CC3)=CC(CC2)=O)CC1)C)C)=O |
| SPLASH | splash10-0629-6931100000-c89e4f88812ac844a669 |
| Source of Spectrum | W-10-279-22 |
| Synonyms | 3-Oxocholest-4-en-26-oic acid 6-(10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-methyl-heptanoic acid 6-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-methyl-heptanoic acid 6-(3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-methyl-enanthic acid |
| Wiley ID | 58261 |