| SpectraBase Compound ID | DXzq3NYSAgd |
|---|---|
| InChI | InChI=1S/C30H50O2/c1-19(2)9-8-10-20(3)23-13-14-24-21-11-12-25-22(17-31)27(32)28(4,5)18-30(25,7)26(21)15-16-29(23,24)6/h17,19-21,23-26,31H,8-16,18H2,1-7H3/b22-17-/t20-,21+,23-,24+,25+,26+,29-,30+/m1/s1 |
| InChIKey | VTTPMDPBUAWTMI-GDKIBIFXSA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C30H50O2 |
| Exact Mass | 442.381081 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1W802Srozyj |
|---|---|
| Name | 2,2-Dimethyl-4-(hydroxymethylene)-5.alpha.-cholestan-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O2 |
| InChI | InChI=1S/C30H50O2/c1-19(2)9-8-10-20(3)23-13-14-24-21-11-12-25-22(17-31)27(32)28(4,5)18-30(25,7)26(21)15-16-29(23,24)6/h17,19-21,23-26,31H,8-16,18H2,1-7H3/b22-17-/t20-,21+,23-,24+,25+,26+,29-,30+/m1/s1 |
| InChIKey | VTTPMDPBUAWTMI-GDKIBIFXSA-N |
| Molecular Weight | 442.728 g/mol |
| SMILES | O\C=C\1[C@]2([C@@]([C@@]3([C@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])(CC2)[H])[H])(CC(C1=O)(C)C)C)[H] |
| SPLASH | splash10-0006-7601900000-09310cc062899fb2a8e1 |
| Source of Spectrum | U-1995-895-14 |
| Synonyms | (5alpha)-4-(hydroxymethylene)-2,2-dimethylcholestan-3-one |
| Wiley ID | 766871 |