| SpectraBase Compound ID | 9IAh9vwrt41 |
|---|---|
| InChI | InChI=1S/C28H48O4/c1-17(7-6-8-18(2)26(31)32-5)21-9-10-22-25-23(12-14-28(21,22)4)27(3)13-11-20(29)15-19(27)16-24(25)30/h17-25,29-30H,6-16H2,1-5H3 |
| InChIKey | MLFCVGMJWKXAOJ-UHFFFAOYSA-N |
| Mol Weight | 448.7 g/mol |
| Molecular Formula | C28H48O4 |
| Exact Mass | 448.35526 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4wOB7lU0kX5 |
|---|---|
| Name | Cholestan-26-oic acid, 3,7-dihydroxy-, methyl ester, (3.alpha.,5.beta.,7.alpha.)- |
| CAS Registry Number | 13316-62-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H48O4 |
| InChI | InChI=1S/C28H48O4/c1-17(7-6-8-18(2)26(31)32-5)21-9-10-22-25-23(12-14-28(21,22)4)27(3)13-11-20(29)15-19(27)16-24(25)30/h17-25,29-30H,6-16H2,1-5H3 |
| InChIKey | MLFCVGMJWKXAOJ-UHFFFAOYSA-N |
| Molecular Weight | 448.688 g/mol |
| SMILES | OC1C2C(C3(C(CC(CC3)O)C1)C)CCC1(C2CCC1C(CCCC(C(OC)=O)C)C)C |
| SPLASH | splash10-03di-0092300000-a7082085cc9432ddf861 |
| Source of Spectrum | T-66-2476-0 |
| Synonyms | 5.beta.-Cholestan-26-oic acid, 3.alpha.,7.alpha.-dihydroxy-, methyl ester 6-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methyl-enanthic acid methyl ester 6-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylheptanoic acid methyl ester Methyl 3.alpha.,7.alpha.-dihydroxy-5.beta.-cholestan-26-oate Methyl 6-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methyl-heptanoate Methyl 6-[10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-heptanoate |
| Wiley ID | 1387323 |