| SpectraBase Spectrum ID |
JUYd8frxOzJ |
| Name |
(10S)-2-Cholesten-1,4,6-trione |
| Alternate Name(s) |
(10alpha)-cholest-2-ene-1,4,6-trione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H40O3 |
| InChI |
InChI=1S/C27H40O3/c1-16(2)7-6-8-17(3)19-9-10-20-18-15-23(29)25-22(28)11-12-24(30)27(25,5)21(18)13-14-26(19,20)4/h11-12,16-21,25H,6-10,13-15H2,1-5H3/t17-,18+,19-,20+,21+,25?,26-,27-/m1/s1 |
| InChIKey |
HKIVPLQCZZUYDM-ZKMBSNDZSA-N |
| Molecular Weight |
412.614 g/mol |
| SMILES |
C1=CC([C@@]2(C(C1=O)C(C[C@]1([C@@]3(CC[C@]([C@@](CCCC(C)C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])=O)C)=O |
| SPLASH |
splash10-03k9-0822900000-0154385d45936d9c957b |
| Source of Spectrum |
F2-44-843-4 |
| Wiley ID |
1639152 |
