| SpectraBase Spectrum ID |
9w9SFrBuHmK |
| Name |
A-nor 5-oxa-5,6,seco-6-(iodoacetyl)cholestan-3-one |
| Alternate Name(s) |
3-{(1R,3aS,4R,7aR)-1-[(1R)-1,5-dimethylhexyl]-7a-methyl-5-[(1S)-1-methyl-3-oxocyclopentyl]octahydro-1H-inden-4-yl}-3-hydroxypropanoyl iodide |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H45IO3 |
| InChI |
InChI=1S/C27H45IO3/c1-18(2)7-6-8-19(3)22-11-12-23-21(10-9-20(29)17-28)24(13-15-26(22,23)4)27(5)16-14-25(30)31-27/h18-19,21-24H,6-17H2,1-5H3/t19-,21+,22-,23+,24?,26-,27+/m1/s1 |
| InChIKey |
ZMBKAGDOONULGI-SGONIGBXSA-N |
| Molecular Weight |
544.558 g/mol |
| SMILES |
[C@]12([C@]([C@@](CCC(=O)CI)([H])C([C@]3(OC(=O)CC3)C)CC1)(CC[C@@]2([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-0002-9002100000-04c73b4389133dfda700 |
| Source of Spectrum |
J-62-2980-18 |
| Wiley ID |
1405029 |
