| SpectraBase Spectrum ID |
DsKa5v7htDQ |
| Name |
(5.beta.)-4-Iodo-2-methyl-3,4-secocholestan-2-ol formate |
| CAS Registry Number |
91712-64-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H51IO2 |
| InChI |
InChI=1S/C29H51IO2/c1-20(2)9-8-10-21(3)24-13-14-25-23-12-11-22(17-30)29(7,18-27(4,5)32-19-31)26(23)15-16-28(24,25)6/h19-26H,8-18H2,1-7H3/t21-,22+,23+,24-,25+,26+,28-,29+/m1/s1 |
| InChIKey |
LXVUCHCSQUPFLG-JWFQRAQLSA-N |
| Molecular Weight |
558.629 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC[C@]([C@@]([C@]3(CC2)[H])(CC(OC=O)(C)C)C)(CI)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-08fr-0000190000-ac9e27731929ae3f22b1 |
| Source of Spectrum |
J-49-3760-0 |
| Synonyms |
2-[(3R,3aR,5aS,6R,7R,9aS,9bS)-3-[(1R)-1,5-dimethylhexyl]-7-(iodomethyl)-3a,6-dimethyldodecahydro-1H-cyclopenta[a]naphthalen-6-yl]-1,1-dimethylethyl formate |
| Wiley ID |
1406567 |
