| SpectraBase Compound ID | AP9b10ZxQXv |
|---|---|
| InChI | InChI=1S/C44H75IO4/c1-4-48-42(46)38(19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-30-45)40-23-22-39-37-21-20-34-33-36(49-35-26-31-47-32-27-35)24-28-43(34,2)41(37)25-29-44(39,40)3/h20,35-41H,4-19,21-33H2,1-3H3/t36?,37?,38-,39?,40-,41?,43+,44+/m1/s1 |
| InChIKey | ZADRZTGRJOGVTI-JBMWFCEMSA-N |
| Mol Weight | 795.0 g/mol |
| Molecular Formula | C44H75IO4 |
| Exact Mass | 794.471006 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | K1ArqVUCTWT |
|---|---|
| Name | 3-(Tetrahydropyranyloxy)-.alpha.(16-iodohexadecyl)pregna-5-enoic acid ethyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C44H75IO4 |
| InChI | InChI=1S/C44H75IO4/c1-4-48-42(46)38(19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-30-45)40-23-22-39-37-21-20-34-33-36(49-35-26-31-47-32-27-35)24-28-43(34,2)41(37)25-29-44(39,40)3/h20,35-41H,4-19,21-33H2,1-3H3/t36?,37?,38-,39?,40-,41?,43+,44+/m1/s1 |
| InChIKey | ZADRZTGRJOGVTI-JBMWFCEMSA-N |
| Molecular Weight | 794.984 g/mol |
| SMILES | [C@@]12(C(C3CC=C4[C@@](C3CC2)(CCC(OC2CCOCC2)C4)C)CC[C@@]1([C@](C(=O)OCC)(CCCCCCCCCCCCCCCCI)[H])[H])C |
| SPLASH | splash10-000i-9000013000-45c256acb28c048ca951 |
| Source of Spectrum | F-53-10588-11bq |
| Wiley ID | 803149 |