| SpectraBase Spectrum ID |
BBpaMbiTsaR |
| Name |
(E)-5,10-secocholest-1(10)-en-3,5-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H44O2 |
| InChI |
InChI=1S/C27H44O2/c1-18(2)7-6-8-20(4)25-13-14-26-24-12-11-22(29)17-21(28)10-9-19(3)23(24)15-16-27(25,26)5/h9,18,20,23-26H,6-8,10-17H2,1-5H3/b19-9-/t20-,23-,24-,25-,26+,27-/m1/s1 |
| InChIKey |
AEBSLFULWRLOLZ-UMLJAHPPSA-N |
| Molecular Weight |
400.647 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CCC(CC(C\C=C/([C@]3(CC2)[H])C)=O)=O)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-0uf9-0009300000-6e5986accbaee6e8e445 |
| Source of Spectrum |
J-60-8215-10 |
| Synonyms |
(Z)-5,10-secocholest-1(10)-en-3,5-dione
5,10-seco-Cholestan-1(10)-en-3,5-dione
(3R,3aR,5aS,13aR,13bS)-3-[(1R)-1,5-dimethylhexyl]-3a,6-dimethyl-3,3a,4,5,5a,8,12,13,13a,13b-decahydro-1H-cyclodeca[e]indene-9,11(2H,10H)-dione |
| Wiley ID |
1369748 |
