| SpectraBase Compound ID | IwGhdZQjvQG |
|---|---|
| InChI | InChI=1S/C28H44O3/c1-17(7-8-18(2)26(3,4)31)21-9-10-22-25-23(12-14-28(21,22)6)27(5)13-11-20(29)15-19(27)16-24(25)30/h16-17,20-23,25,29,31H,2,7-15H2,1,3-6H3/t17-,20+,21-,22+,23+,25+,27+,28-/m1/s1 |
| InChIKey | XYUCSHDLMDWJNB-AMFPVOGUSA-N |
| Mol Weight | 428.7 g/mol |
| Molecular Formula | C28H44O3 |
| Exact Mass | 428.329045 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B28TnlW0au0 |
|---|---|
| Name | 3.beta.,25-Dihydroxyergosta-5,24(28)-dien-7-one |
| Alternate Name(s) | (3beta)-3,25-dihydroxyergosta-5,24(28)-dien-7-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H44O3 |
| InChI | InChI=1S/C28H44O3/c1-17(7-8-18(2)26(3,4)31)21-9-10-22-25-23(12-14-28(21,22)6)27(5)13-11-20(29)15-19(27)16-24(25)30/h16-17,20-23,25,29,31H,2,7-15H2,1,3-6H3/t17-,20+,21-,22+,23+,25+,27+,28-/m1/s1 |
| InChIKey | XYUCSHDLMDWJNB-AMFPVOGUSA-N |
| Molecular Weight | 428.657 g/mol |
| SMILES | O[C@]1(CC[C@]2(C(=CC([C@]3([C@]4([C@@]([C@@]([C@@](CCC(C(O)(C)C)=C)(C)[H])(CC4)[H])(CC[C@]23[H])C)[H])[H])=O)C1)C)[H] |
| SPLASH | splash10-004i-0005900000-58019341649bebd5f672 |
| Source of Spectrum | X2-56-286-19 |
| Wiley ID | 1604764 |