| SpectraBase Compound ID | LOpmlR3Ax8J |
|---|---|
| InChI | InChI=1S/C28H50O2/c1-17(2)18(3)7-8-19(4)23-11-12-24-22-10-9-20-15-21(29)13-14-27(20,5)25(22)16-26(30)28(23,24)6/h17-26,29-30H,7-16H2,1-6H3 |
| InChIKey | XEBSRRUKLHTHPE-UHFFFAOYSA-N |
| Mol Weight | 418.7 g/mol |
| Molecular Formula | C28H50O2 |
| Exact Mass | 418.381081 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Inx60FDVLbV |
|---|---|
| Name | Ergostane-3,12-diol, (3.alpha.,5.beta.,12.alpha.)- |
| CAS Registry Number | 56052-70-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H50O2 |
| InChI | InChI=1S/C28H50O2/c1-17(2)18(3)7-8-19(4)23-11-12-24-22-10-9-20-15-21(29)13-14-27(20,5)25(22)16-26(30)28(23,24)6/h17-26,29-30H,7-16H2,1-6H3 |
| InChIKey | XEBSRRUKLHTHPE-UHFFFAOYSA-N |
| Molecular Weight | 418.706 g/mol |
| SMILES | OC1C2(C(C3C(C4(C(CC(CC4)O)CC3)C)C1)CCC2C(CCC(C(C)C)C)C)C |
| SPLASH | splash10-0a4l-9431000000-7abbc01bbb8ca080bacd |
| Source of Spectrum | NP-14-8475-0 |
| Synonyms | Ergostane-3,12-diol 10,13-dimethyl-17-(1,4,5-trimethylhexyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol 17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol |
| Wiley ID | 1112035 |