| SpectraBase Spectrum ID |
7ul03F1zTja |
| Name |
(5.beta.)-4-Iodo-3-methyl-3,4-secocholestan-3-one |
| CAS Registry Number |
91712-72-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H49IO |
| InChI |
InChI=1S/C28H49IO/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-22(18-29)27(5,16-14-21(4)30)26(23)15-17-28(24,25)6/h19-20,22-26H,7-18H2,1-6H3/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1 |
| InChIKey |
BTHTWLCSHRIDBS-PXBBAZSNSA-N |
| Molecular Weight |
528.603 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC[C@]([C@@]([C@]3(CC2)[H])(CCC(=O)C)C)(CI)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-0udi-0000900000-cdcb8be97a8d26500351 |
| Source of Spectrum |
J-49-3761-0 |
| Synonyms |
4-[(3R,3aR,5aS,6R,7R,9aS,9bS)-3-[(1R)-1,5-dimethylhexyl]-7-(iodomethyl)-3a,6-dimethyldodecahydro-1H-cyclopenta[a]naphthalen-6-yl]-2-butanone |
| Wiley ID |
1403064 |
