| SpectraBase Compound ID | JUtcED4xFWQ |
|---|---|
| InChI | InChI=1S/C29H49BrN2O5/c1-18(2)7-6-8-19(3)22-11-12-23-21-10-9-20-15-29(33,17-32(36)37)26(30)25(16-31(34)35)28(20,5)24(21)13-14-27(22,23)4/h18-26,33H,6-17H2,1-5H3/t19?,20-,21?,22?,23?,24?,25-,26-,27?,28?,29?/m0/s1 |
| InChIKey | AZIBRFHTFLUQAD-OTBHQKCWSA-N |
| Mol Weight | 585.6 g/mol |
| Molecular Formula | C29H49BrN2O5 |
| Exact Mass | 584.282486 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | F9Pb9kR4Ekj |
|---|---|
| Name | 2.beta.-Bromo-1.alpha.3.xi.-(dinitromethyl)-3-.xi.-hydroxycholestane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H49BrN2O5 |
| InChI | InChI=1S/C29H49BrN2O5/c1-18(2)7-6-8-19(3)22-11-12-23-21-10-9-20-15-29(33,17-32(36)37)26(30)25(16-31(34)35)28(20,5)24(21)13-14-27(22,23)4/h18-26,33H,6-17H2,1-5H3/t19?,20-,21?,22?,23?,24?,25-,26-,27?,28?,29?/m0/s1 |
| InChIKey | AZIBRFHTFLUQAD-OTBHQKCWSA-N |
| Molecular Weight | 585.624 g/mol |
| SMILES | OC1(C[C@]2(C([C@]([C@@]1(Br)[H])(CN(=O)=O)[H])(C1C(C3CCC(C3(CC1)C)C(CCCC(C)C)C)CC2)C)[H])CN(=O)=O |
| SPLASH | splash10-0006-0020900000-2b8dcdd9778395d171a0 |
| Source of Spectrum | SO-1976-814-7 |
| Wiley ID | 1536907 |