| SpectraBase Spectrum ID |
KkApy7bKOsp |
| Name |
1-Iodo-2,3,4-trinor-1,2-secocholestan-5-one |
| Alternate Name(s) |
(3R,3aR,6R,9aS,9bS)-3-[(1R)-1,5-dimethylhexyl]-6-(iodomethyl)-3a,6-dimethyldodecahydro-7H-cyclopenta[a]naphthalen-7-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H41IO |
| InChI |
InChI=1S/C24H41IO/c1-16(2)7-6-8-17(3)19-10-11-20-18-9-12-22(26)24(5,15-25)21(18)13-14-23(19,20)4/h16-21H,6-15H2,1-5H3/t17-,18+,19-,20+,21?,23-,24-/m1/s1 |
| InChIKey |
ZNMFYMISRDXFRR-LMWOZXSPSA-N |
| Molecular Weight |
472.495 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CCC([C@@](C3CC2)(CI)C)=O)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-00os-0359100000-c5ad3cb5f626e78e1ecb |
| Source of Spectrum |
J-60-8215-7 |
| Wiley ID |
1393302 |
