![Carbamic acid, [(2.beta.,3.alpha.,5.alpha.)-2-(phenylseleno)cholestan-3-yl]-, ethyl ester](/api/spectrum/990qyL2CX23/structure.png?h=300&w=458 "Carbamic acid, [(2.beta.,3.alpha.,5.alpha.)-2-(phenylseleno)cholestan-3-yl]-, ethyl ester")
| SpectraBase Compound ID | BxgklVI73sG |
|---|---|
| InChI | InChI=1S/C36H57NO2Se/c1-7-39-34(38)37-32-22-26-16-17-28-30-19-18-29(25(4)13-11-12-24(2)3)35(30,5)21-20-31(28)36(26,6)23-33(32)40-27-14-9-8-10-15-27/h8-10,14-15,24-26,28-33H,7,11-13,16-23H2,1-6H3,(H,37,38)/t25-,26+,28+,29-,30+,31+,32+,33+,35-,36+/m1/s1 |
| InChIKey | QSEGQEUNOMGDQV-PHWGQGRNSA-N |
| Mol Weight | 614.8 g/mol |
| Molecular Formula | C36H57NO2Se |
| Exact Mass | 615.355452 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 990qyL2CX23 |
|---|---|
| Name | Carbamic acid, [(2.beta.,3.alpha.,5.alpha.)-2-(phenylseleno)cholestan-3-yl]-, ethyl ester |
| CAS Registry Number | 106672-43-9 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H57NO2Se |
| InChI | InChI=1S/C36H57NO2Se/c1-7-39-34(38)37-32-22-26-16-17-28-30-19-18-29(25(4)13-11-12-24(2)3)35(30,5)21-20-31(28)36(26,6)23-33(32)40-27-14-9-8-10-15-27/h8-10,14-15,24-26,28-33H,7,11-13,16-23H2,1-6H3,(H,37,38)/t25-,26+,28+,29-,30+,31+,32+,33+,35-,36+/m1/s1 |
| InChIKey | QSEGQEUNOMGDQV-PHWGQGRNSA-N |
| Molecular Weight | 614.829 g/mol |
| SMILES | N(C(=O)OCC)[C@]1(C[C@]2([C@@]([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC2)[H])(C[C@@]1([Se]c1ccccc1)[H])C)[H])[H] |
| SPLASH | splash10-014i-0000091000-c9fbe8c49fb86c9b7ae1 |
| Source of Spectrum | KC-1990-2421-2 |
| Synonyms | Cholestane, carbamic acid deriv. 3.alpha.-ethoxycarbonylamino-2.beta.-phenylseleno-5.alpha.-cholestane Ethyl (2beta,3alpha,5alpha)-2-(phenylselanyl)cholestan-3-ylcarbamate |
| Wiley ID | 1411270 |