| SpectraBase Spectrum ID |
AiCa6Eoisyi |
| Name |
3,4-Secocholestan-2-ol, 3,4-diiodo-2-methyl-, formate, (2R,5.beta.)- |
| Alternate Name(s) |
(1R)-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-(iodomethyl)-1-methylethyl formate
(2R,5.beta.)-3,4-diiodo-2-methyl-3,4-secocholestan-2-ol formate |
| CAS Registry Number |
83625-99-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H50I2O2 |
| InChI |
InChI=1S/C29H50I2O2/c1-20(2)8-7-9-21(3)24-12-13-25-23-11-10-22(16-30)29(6,17-27(4,18-31)33-19-32)26(23)14-15-28(24,25)5/h19-26H,7-18H2,1-6H3/t21-,22+,23+,24-,25+,26+,27-,28-,29+/m1/s1 |
| InChIKey |
YXMHPTAOZAMTDQ-DQZREMBBSA-N |
| Molecular Weight |
684.526 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC[C@]([C@@]([C@]3(CC2)[H])(C[C@@](OC=O)(CI)C)C)(CI)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-0kbf-9430000000-893952f740e0e2c2048d |
| Source of Spectrum |
J-49-3760-0 |
| Wiley ID |
1414461 |
