| SpectraBase Compound ID | FDTHiKD64Mr |
|---|---|
| InChI | InChI=1S/C28H48N2O4/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25(30(33)34)28(5,17-15-26(32)29(6)18-31)24(21)14-16-27(22,23)4/h18-25H,7-17H2,1-6H3/t20?,21-,22+,23-,24-,25?,27+,28+/m0/s1 |
| InChIKey | UURAQSBMSQXVOV-RCOFWKBTSA-N |
| Mol Weight | 476.7 g/mol |
| Molecular Formula | C28H48N2O4 |
| Exact Mass | 476.361408 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ZaRaHw91U |
|---|---|
| Name | A-homo-4-seco-5-epi-6-nitro-4-methyl-4-formyl-4-azacholestan-3-one isomer |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H48N2O4 |
| InChI | InChI=1S/C28H48N2O4/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25(30(33)34)28(5,17-15-26(32)29(6)18-31)24(21)14-16-27(22,23)4/h18-25H,7-17H2,1-6H3/t20?,21-,22+,23-,24-,25?,27+,28+/m0/s1 |
| InChIKey | UURAQSBMSQXVOV-RCOFWKBTSA-N |
| Molecular Weight | 476.702 g/mol |
| SMILES | [C@]12([C@]([C@]3([C@]([C@](C(N(=O)=O)CC3)(CCC(N(C=O)C)=O)C)([H])CC1)[H])(CC[C@@]2(C(CCCC(C)C)C)[H])[H])C |
| SPLASH | splash10-02ti-5009200000-83ea8625247767924b17 |
| Source of Spectrum | F-53-10573-4 |
| Wiley ID | 803168 |