| SpectraBase Spectrum ID |
1nORhWrSWue |
| Name |
5,6-Secocholestan-6-al, 3-hydroxy-1-oxo-, (3.alpha.,10.alpha.)- |
| CAS Registry Number |
81811-27-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H46O3 |
| InChI |
InChI=1S/C27H46O3/c1-18(2)7-6-8-19(3)22-9-10-23-21(13-16-28)24(12-15-26(22,23)4)27(5)14-11-20(29)17-25(27)30/h16,18-24,29H,6-15,17H2,1-5H3/t19-,20-,21?,22-,23+,24?,26-,27-/m1/s1 |
| InChIKey |
YAKOGNWFSAFQBB-LIENQLHMSA-N |
| Molecular Weight |
418.662 g/mol |
| SMILES |
O[C@@]1(CC[C@](C2CC[C@]3([C@](C2CC=O)(CC[C@@]3([C@@](CCCC(C)C)(C)[H])[H])[H])C)(C(C1)=O)C)[H] |
| SPLASH |
splash10-0h2b-0329200000-dc199acf8ec6b0220739 |
| Source of Spectrum |
C-105-1977-0 |
| Synonyms |
3.beta.-hydroxy-5-oxo-5,6-secocholestan-6-al
{(1R,3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]-5-[(1R,4R)-4-hydroxy-1-methyl-2-oxocyclohexyl]-7a-methyloctahydro-1H-inden-4-yl}acetaldehyde |
| Wiley ID |
1377454 |
