| SpectraBase Spectrum ID |
e87CMM7bYV |
| Name |
5,6-Secocholestan-6-oic acid, 1-oxo-, (10.alpha.)- |
| CAS Registry Number |
53512-63-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H46O3 |
| InChI |
InChI=1S/C27H46O3/c1-18(2)9-8-10-19(3)21-12-13-22-20(17-25(29)30)23(14-16-26(21,22)4)27(5)15-7-6-11-24(27)28/h18-23H,6-17H2,1-5H3,(H,29,30)/t19-,20?,21-,22+,23?,26-,27+/m1/s1 |
| InChIKey |
QOKGFICMPVDWTL-HYLIOBQISA-N |
| Molecular Weight |
418.662 g/mol |
| SMILES |
OC(CC1[C@]2([C@@]([C@](CC2)([C@@](CCCC(C)C)(C)[H])[H])(CCC1[C@]1(C(=O)CCCC1)C)C)[H])=O |
| SPLASH |
splash10-03di-4900000000-eccb04d0fc50544ac5c9 |
| Source of Spectrum |
O-8-4-3 |
| Synonyms |
[1-(1,5-dimethylhexyl)-7a-methyl-5-(1-methyl-2-oxocyclohexyl)octahydro-1H-inden-4-yl]acetic acid
5,6-Secocholestan-6-oic acid, 1-oxo-, (10alpha)-
5-keto-5,6-secocholestan-6-oic acid
5-Oxo-5,6-secocholestan-6-oic acid
{(1R,3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]-7a-methyl-5-[(1S)-1-methyl-2-oxocyclohexyl]octahydro-1H-inden-4-yl}acetic acid |
| Wiley ID |
1377444 |
