| SpectraBase Compound ID | FN7iU3cXGBh |
|---|---|
| InChI | InChI=1S/C30H52O/c1-18(2)19(3)20(4)21(5)22(6)26-11-12-27-25-10-9-23-17-24(31)13-15-29(23,7)28(25)14-16-30(26,27)8/h9,18-22,24-28,31H,10-17H2,1-8H3/t19-,20?,21?,22-,24+,25+,26-,27+,28+,29+,30-/m1/s1 |
| InChIKey | UJZKMLROHNREFX-UANVJXIVSA-N |
| Mol Weight | 428.7 g/mol |
| Molecular Formula | C30H52O |
| Exact Mass | 428.401816 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Euuqf9pGXZJ |
|---|---|
| Name | Ergost-5-en-3-ol, 22,23-dimethyl-, (3.beta.)- |
| CAS Registry Number | 55724-23-7 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H52O |
| InChI | InChI=1S/C30H52O/c1-18(2)19(3)20(4)21(5)22(6)26-11-12-27-25-10-9-23-17-24(31)13-15-29(23,7)28(25)14-16-30(26,27)8/h9,18-22,24-28,31H,10-17H2,1-8H3/t19-,20?,21?,22-,24+,25+,26-,27+,28+,29+,30-/m1/s1 |
| InChIKey | UJZKMLROHNREFX-UANVJXIVSA-N |
| Molecular Weight | 428.745 g/mol |
| SMILES | O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@@](C(C([C@@](C(C)C)(C)[H])C)C)(C)[H])[H])[H])C)[H])C)[H] |
| SPLASH | splash10-0ab9-0931000000-1f1d43815dc06314f017 |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | (3beta)-22,23-dimethylergost-5-en-3-ol |
| Wiley ID | 59353 |