| SpectraBase Compound ID | 8KrCUVQVfWf |
|---|---|
| InChI | InChI=1S/C28H42O5/c1-16(7-6-8-17(2)26(32)33-5)20-9-10-21-25-22(15-24(31)28(20,21)4)27(3)12-11-19(29)13-18(27)14-23(25)30/h16-18,20-22,25H,6-15H2,1-5H3 |
| InChIKey | QNUDMMMYQJKSTL-UHFFFAOYSA-N |
| Mol Weight | 458.6 g/mol |
| Molecular Formula | C28H42O5 |
| Exact Mass | 458.303224 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CO9nUhiL59G |
|---|---|
| Name | Cholestan-26-oic acid, 3,7,12-trioxo-, methyl ester, (5.beta.)- |
| CAS Registry Number | 56247-73-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H42O5 |
| InChI | InChI=1S/C28H42O5/c1-16(7-6-8-17(2)26(32)33-5)20-9-10-21-25-22(15-24(31)28(20,21)4)27(3)12-11-19(29)13-18(27)14-23(25)30/h16-18,20-22,25H,6-15H2,1-5H3 |
| InChIKey | QNUDMMMYQJKSTL-UHFFFAOYSA-N |
| Molecular Weight | 458.639 g/mol |
| SMILES | C1(=O)C2C3C(C)(C(C(CCCC(C(OC)=O)C)C)CC3)C(CC2C2(C(C1)CC(=O)CC2)C)=O |
| SPLASH | splash10-03di-0591100000-34320b4537f812e54803 |
| Source of Spectrum | AB-273-219-2 |
| Synonyms | Methyl 3,7,12-trioxocholestan-26-oate 2-Methyl-6-(3,7,12-triketo-10,13-dimethyl-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)enanthic acid methyl ester 6-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-methylheptanoic acid methyl ester Methyl 6-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-methyl-heptanoate Methyl 6-[10,13-dimethyl-3,7,12-tris(oxidanylidene)-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-heptanoate |
| Wiley ID | 1389972 |