| SpectraBase Compound ID | 4oK7qjtRBei |
|---|---|
| InChI | InChI=1S/C25H38O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-15,17-19,21,23,28H,5-13H2,1-4H3 |
| InChIKey | JUIDEOZESHAMJA-UHFFFAOYSA-N |
| Mol Weight | 418.6 g/mol |
| Molecular Formula | C25H38O5 |
| Exact Mass | 418.271924 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | CACs0ObeMW9 |
|---|---|
| Name | 5.alpha.-Cholan-24-oic acid, 12.alpha.-hydroxy-3,7-dioxo-, methyl ester |
| CAS Registry Number | 16656-66-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H38O5 |
| InChI | InChI=1S/C25H38O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-15,17-19,21,23,28H,5-13H2,1-4H3 |
| InChIKey | JUIDEOZESHAMJA-UHFFFAOYSA-N |
| Molecular Weight | 418.574 g/mol |
| SMILES | OC1C2(C(C3C(=O)CC4CC(=O)CCC4(C3C1)C)CCC2C(CCC(OC)=O)C)C |
| SPLASH | splash10-000i-7793100000-c0d90c77f5b8fdaf238b |
| Source of Spectrum | T-68-5188-0 |
| Synonyms | Methyl 12-hydroxy-3,7-dioxocholan-24-oate 4-(12-hydroxy-10,13-dimethyl-3,7-dioxo-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid methyl ester 4-(12-hydroxy-3,7-diketo-10,13-dimethyl-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)valeric acid methyl ester Methyl 4-(12-hydroxy-10,13-dimethyl-3,7-dioxo-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate Methyl 4-[10,13-dimethyl-12-oxidanyl-3,7-bis(oxidanylidene)-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate |
| Wiley ID | 58643 |