| SpectraBase Compound ID | HWcBRPhiiPV |
|---|---|
| InChI | InChI=1S/C28H47NO2/c1-19(2)8-7-9-20(3)23-12-13-24-22-11-10-21-18-26(4,31-29-30)16-17-27(21,5)25(22)14-15-28(23,24)6/h10,19-20,22-25H,7-9,11-18H2,1-6H3/t20-,22+,23-,24+,25+,26+,27+,28-/m1/s1 |
| InChIKey | ZNADAXDQFAOUGX-IGJWGHBJSA-N |
| Mol Weight | 429.7 g/mol |
| Molecular Formula | C28H47NO2 |
| Exact Mass | 429.36068 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AdvGQMFancW |
|---|---|
| Name | 3.alpha.-methylcholest-5-en-3-.beta.ol Nitrite |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H47NO2 |
| InChI | InChI=1S/C28H47NO2/c1-19(2)8-7-9-20(3)23-12-13-24-22-11-10-21-18-26(4,31-29-30)16-17-27(21,5)25(22)14-15-28(23,24)6/h10,19-20,22-25H,7-9,11-18H2,1-6H3/t20-,22+,23-,24+,25+,26+,27+,28-/m1/s1 |
| InChIKey | ZNADAXDQFAOUGX-IGJWGHBJSA-N |
| Molecular Weight | 429.689 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@@](ON=O)(C)C4)C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH | splash10-0006-9003000000-bee0ebad46a20177a188 |
| Source of Spectrum | AJ-56-3352-6 |
| Synonyms | (3beta)-3-methylcholest-5-en-3-yl nitrite |
| Wiley ID | 1381261 |