| SpectraBase Spectrum ID |
9ckCOK8QHMA |
| Name |
19-Methylene-5,10-secocholestan-3,5-dione |
| Alternate Name(s) |
(3R,3aR,5aR,13aR,13bS)-3-((R)-1,5-Dimethyl-hexyl)-3a-methyl-12-methylene-tetradecahydro-cyclodeca[e]indene-7,9-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)25-11-12-26-24-15-19(3)9-10-22(28)17-23(29)16-21(24)13-14-27(25,26)5/h18,20-21,24-26H,3,6-17H2,1-2,4-5H3/t20-,21-,24-,25-,26+,27-/m1/s1 |
| InChIKey |
FUTWJKNEHWDEQL-RVXGYFMNSA-N |
| Molecular Weight |
400.647 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC(=C)CCC(CC(C[C@]3(CC2)[H])=O)=O)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-001i-0009200000-b34ab6ab1689ba0df8b5 |
| Source of Spectrum |
J-60-8215-11 |
| Wiley ID |
1369747 |
