![Spiro[5'-Iodomethyl-5.alpha.-cholestan-3,2'-tetrahydrofuran] isomer](/api/spectrum/4qnnSLrtxn3/structure.png?h=300&w=458 "Spiro[5'-Iodomethyl-5.alpha.-cholestan-3,2'-tetrahydrofuran] isomer")
| SpectraBase Compound ID | 12u1t4lc4pS |
|---|---|
| InChI | InChI=1S/C31H53IO/c1-21(2)7-6-8-22(3)26-11-12-27-25-10-9-23-19-31(16-13-24(20-32)33-31)18-17-29(23,4)28(25)14-15-30(26,27)5/h21-28H,6-20H2,1-5H3/t22-,23?,24+,25+,26-,27+,28+,29+,30-,31+/m1/s1 |
| InChIKey | RNNSFAHJJGBMBX-KKSZQDFPSA-N |
| Mol Weight | 568.7 g/mol |
| Molecular Formula | C31H53IO |
| Exact Mass | 568.314111 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4qnnSLrtxn3 |
|---|---|
| Name | Spiro[5'-Iodomethyl-5.alpha.-cholestan-3,2'-tetrahydrofuran] isomer |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H53IO |
| InChI | InChI=1S/C31H53IO/c1-21(2)7-6-8-22(3)26-11-12-27-25-10-9-23-19-31(16-13-24(20-32)33-31)18-17-29(23,4)28(25)14-15-30(26,27)5/h21-28H,6-20H2,1-5H3/t22-,23?,24+,25+,26-,27+,28+,29+,30-,31+/m1/s1 |
| InChIKey | RNNSFAHJJGBMBX-KKSZQDFPSA-N |
| Molecular Weight | 568.668 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCC4[C@@]([C@]3(CC2)[H])(CC[C@@]2(C4)O[C@](CI)(CC2)[H])C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH | splash10-0hg9-0091120000-ff687066b38c7f5e01b3 |
| Source of Spectrum | KC-1992-2922-47 |
| Wiley ID | 777039 |