| SpectraBase Spectrum ID |
FIacKI6vD22 |
| Name |
(+/-)-20-Methyl-4,5-seco-14beta,17alpha-pregnan-3,5-dione |
| Alternate Name(s) |
(3S,3aR,5aS,6R,9aS,9bR)-3-isopropyl-3a,6-dimethyl-6-(3-oxobutyl)dodecahydro-7H-cyclopenta[a]naphthalen-7-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H36O2 |
| InChI |
InChI=1S/C22H36O2/c1-14(2)17-7-8-18-16-6-9-20(24)22(5,12-10-15(3)23)19(16)11-13-21(17,18)4/h14,16-19H,6-13H2,1-5H3/t16-,17-,18+,19-,21+,22+/m0/s1 |
| InChIKey |
KJDGVHVDFDHDGS-JZQWIXKMSA-N |
| Molecular Weight |
332.528 g/mol |
| SMILES |
C1([C@]([C@@]2([C@@](CC1)([C@@]1([C@](CC2)([C@@](CC1)(C(C)C)[H])C)[H])[H])[H])(C)CCC(=O)C)=O |
| SPLASH |
splash10-03di-0097000000-1780f52d5b55c4b1a277 |
| Source of Spectrum |
K-113-2726-17a |
| Wiley ID |
1792796 |
