| SpectraBase Compound ID | 4PW51K794JS |
|---|---|
| InChI | InChI=1S/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h9,17-19,22-24H,5-8,10-16H2,1-4H3,(H,29,30)/t17-,18-,19+,22-,23+,24+,26+,27-/m1/s1 |
| InChIKey | SQTAVUCHOVVOFD-QAIVWSEESA-N |
| Mol Weight | 414.6 g/mol |
| Molecular Formula | C27H42O3 |
| Exact Mass | 414.313395 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 | CkdLVJpgeTI |
|---|---|
| Name | (25R)-.delta(7).-Dafachronic acid |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42O3 |
| InChI | InChI=1S/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h9,17-19,22-24H,5-8,10-16H2,1-4H3,(H,29,30)/t17-,18-,19+,22-,23+,24+,26+,27-/m1/s1 |
| InChIKey | SQTAVUCHOVVOFD-QAIVWSEESA-N |
| Molecular Weight | 414.630 g/mol |
| SMILES | OC([C@@](CCC[C@]([C@@]1([C@@]2([C@](C=3[C@@]([C@]4(CCC(C[C@@]4(CC3)[H])=O)C)(CC2)[H])(CC1)[H])C)[H])(C)[H])(C)[H])=O |
| SPLASH | splash10-03k9-0033900000-2fc75e55a86bfd83ca98 |
| Source of Spectrum | F5-7-919-2a |
| Synonyms | (25R)-3-Oxo-5.alpha.-cholest-7-en-26-oic Acid (2R,6R)-6-[(5S,9R,10S,13R,14R,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid (2R,6R)-6-[(5S,9R,10S,13R,14R,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-heptanoic acid (2R,6R)-6-[(5S,9R,10S,13R,14R,17R)-10,13-dimethyl-3-oxidanylidene-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-heptanoic acid |
| Wiley ID | 1696367 |