butenandt's acid
Modify Date: 2025-09-07 11:20:08
butenandt's acid structure
|
Common Name | butenandt's acid | ||
|---|---|---|---|---|
| CAS Number | 469-04-5 | Molecular Weight | 446.61900 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C27H42O5 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
| Name | (1R,3aS,7aR)-5-[(1R)-2-carboxy-1-methyl-4-oxocyclohex-2-en-1-yl]-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,4,5,6,7-octahydroindene-4-carboxylic acid |
|---|---|
| Synonym | More Synonyms |
| Molecular Formula | C27H42O5 |
|---|---|
| Molecular Weight | 446.61900 |
| Exact Mass | 446.30300 |
| PSA | 91.67000 |
| LogP | 5.97230 |
| Vapour Pressure | 6.39E-15mmHg at 25°C |
| InChIKey | LFLDNIHANXVTOZ-DZKXPUBSSA-N |
| SMILES | CC(C)CCCC(C)C1CCC2C(C(=O)O)C(C3(C)CCC(=O)C=C3C(=O)O)CCC12C |
| Precursor 0 | |
|---|---|
| DownStream 1 | |
CAS#:32174-69-9| Butenandt's acid |
| 6,7-Secocholest-4-ene-6,7-dioic acid,3-oxo |
| 3-Oxo-6,7-secocholest-4-ene 6,7-dioic acid |