| SpectraBase Compound ID | 9t20Vm4TMp4 |
|---|---|
| InChI | InChI=1S/C27H45IO2/c1-19(2)7-6-8-20(3)23-11-12-24-22-10-9-21(17-30-18-29)26(4,15-16-28)25(22)13-14-27(23,24)5/h9,18-20,22-25H,6-8,10-17H2,1-5H3/t20-,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | BAOXZNZGLUFOPE-HKQCOZBKSA-N |
| Mol Weight | 528.6 g/mol |
| Molecular Formula | C27H45IO2 |
| Exact Mass | 528.246426 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EXDuTOBrQAU |
|---|---|
| Name | 3-Formyloxy-2-iodo-A-nor-2,3-secocholest-5-ene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 528.246425687 u |
| Formula | C27H45IO2 |
| InChI | InChI=1S/C27H45IO2/c1-19(2)7-6-8-20(3)23-11-12-24-22-10-9-21(17-30-18-29)26(4,15-16-28)25(22)13-14-27(23,24)5/h9,18-20,22-25H,6-8,10-17H2,1-5H3/t20-,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | BAOXZNZGLUFOPE-HKQCOZBKSA-N |
| Molecular Weight | 528.559 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C([C@@]([C@]3(CC2)[H])(CCI)C)COC=O)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |