| SpectraBase Compound ID | 6gaiCDNIQUa |
|---|---|
| InChI | InChI=1S/C27H46O3/c1-18(2)8-6-9-19(3)21-12-13-22-20-11-14-24(28)27(5,16-7-10-25(29)30)23(20)15-17-26(21,22)4/h18-23H,6-17H2,1-5H3,(H,29,30) |
| InChIKey | OWWVTPOEWPWAJU-UHFFFAOYSA-N |
| Mol Weight | 418.7 g/mol |
| Molecular Formula | C27H46O3 |
| Exact Mass | 418.344695 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Fs0bWHtaWOG |
|---|---|
| Name | 4,5-Secocholestan-4-oic acid, 5-oxo- |
| CAS Registry Number | 53512-58-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H46O3 |
| InChI | InChI=1S/C27H46O3/c1-18(2)8-6-9-19(3)21-12-13-22-20-11-14-24(28)27(5,16-7-10-25(29)30)23(20)15-17-26(21,22)4/h18-23H,6-17H2,1-5H3,(H,29,30) |
| InChIKey | OWWVTPOEWPWAJU-UHFFFAOYSA-N |
| Molecular Weight | 418.662 g/mol |
| SMILES | OC(CCCC1(C2C(C3C(C)(C(C(CCCC(C)C)C)CC3)CC2)CCC1=O)C)=O |
| SPLASH | splash10-001l-9302000000-02a6c1e9f40e00416b6b |
| Source of Spectrum | O-8-6-8 |
| Synonyms | 4-[3-(1,5-Dimethylhexyl)-3a,6-dimethyl-7-oxododecahydro-1H-cyclopenta[a]naphthalen-6-yl]butanoic acid 4-[3-(1,5-dimethylhexyl)-3a,6-dimethyl-7-oxo-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-6-yl]butanoic acid 4-[3-(1,5-dimethylhexyl)-7-keto-3a,6-dimethyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrobenz[e]inden-6-yl]butyric acid 4-[3a,6-dimethyl-3-(6-methylheptan-2-yl)-7-oxidanylidene-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-6-yl]butanoic acid 4-[3a,6-dimethyl-3-(6-methylheptan-2-yl)-7-oxo-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-6-yl]butanoic acid |
| Wiley ID | 1377439 |