![Methyl 4-(8-hydroxy-3a,6-dimethyl-3-oxo-8-pentyldodecahydro-1H-cyclopenta[a]naphthalen-6-yl)butanoate](/api/spectrum/7b0R6FsaJPs/structure.png?h=300&w=458 "Methyl 4-(8-hydroxy-3a,6-dimethyl-3-oxo-8-pentyldodecahydro-1H-cyclopenta[a]naphthalen-6-yl)butanoate")
| SpectraBase Compound ID | 8YfT3CgkoQd |
|---|---|
| InChI | InChI=1S/C25H42O4/c1-5-6-7-14-25(28)16-18-19(12-15-24(3)20(18)10-11-21(24)26)23(2,17-25)13-8-9-22(27)29-4/h18-20,28H,5-17H2,1-4H3 |
| InChIKey | DZNFRBKCSRCVHE-UHFFFAOYSA-N |
| Mol Weight | 406.6 g/mol |
| Molecular Formula | C25H42O4 |
| Exact Mass | 406.30831 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7b0R6FsaJPs |
|---|---|
| Name | Methyl 4-(8-hydroxy-3a,6-dimethyl-3-oxo-8-pentyldodecahydro-1H-cyclopenta[a]naphthalen-6-yl)butanoate |
| CAS Registry Number | 59251-86-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H42O4 |
| InChI | InChI=1S/C25H42O4/c1-5-6-7-14-25(28)16-18-19(12-15-24(3)20(18)10-11-21(24)26)23(2,17-25)13-8-9-22(27)29-4/h18-20,28H,5-17H2,1-4H3 |
| InChIKey | DZNFRBKCSRCVHE-UHFFFAOYSA-N |
| Molecular Weight | 406.607 g/mol |
| SMILES | OC1(CC(CCCC(=O)OC)(C2CCC3(C(C2C1)CCC3=O)C)C)CCCCC |
| SPLASH | splash10-000i-9428000000-38b9d6807f8ba5df6b6f |
| Source of Spectrum | NP-14-6146-0 |
| Synonyms | 6.alpha.-Hydroxy-17-oxo-6.beta.-pentyl-4,5-secoandrostan-4-oic acid, methyl ester 4-(8-hydroxy-3a,6-dimethyl-3-oxo-8-pentyl-2,4,5,5a,7,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-6-yl)butanoic acid methyl ester Methyl 4-(8-hydroxy-3a,6-dimethyl-3-oxo-8-pentyl-2,4,5,5a,7,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-6-yl)butanoate Methyl 4-(3a,6-dimethyl-8-oxidanyl-3-oxidanylidene-8-pentyl-2,4,5,5a,7,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-6-yl)butanoate |
| Wiley ID | 1111866 |