| SpectraBase Compound ID | 8jy9fKdESAw |
|---|---|
| InChI | InChI=1S/C28H40O4/c1-16(2)26(30)15-27(31)17(3)24-10-11-25-23-8-6-19-14-20(32-18(4)29)7-9-21(19)22(23)12-13-28(24,25)5/h6,8,16-17,20,24-25,27,31H,7,9-15H2,1-5H3/t17-,20-,24?,25-,27+,28?/m0/s1 |
| InChIKey | ZIHOOCLMZBLWDO-WIZHIHQMSA-N |
| Mol Weight | 440.6 g/mol |
| Molecular Formula | C28H40O4 |
| Exact Mass | 440.29266 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LX023EtF0It |
|---|---|
| Name | 22(R)-Hydroxy-19-nor-24-oxo-ergosta-5,7,9-trien-3.beta.-yl Acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H40O4 |
| InChI | InChI=1S/C28H40O4/c1-16(2)26(30)15-27(31)17(3)24-10-11-25-23-8-6-19-14-20(32-18(4)29)7-9-21(19)22(23)12-13-28(24,25)5/h6,8,16-17,20,24-25,27,31H,7,9-15H2,1-5H3/t17-,20-,24?,25-,27+,28?/m0/s1 |
| InChIKey | ZIHOOCLMZBLWDO-WIZHIHQMSA-N |
| Molecular Weight | 440.624 g/mol |
| SMILES | O[C@](CC(=O)C(C)C)([C@](C1C2([C@](c3ccc4c(c3CC2)CC[C@](OC(=O)C)(C4)[H])(CC1)[H])C)(C)[H])[H] |
| SPLASH | splash10-001i-0469000000-bf1e1a5043540d94e3dd |
| Source of Spectrum | G4-61-1494-24 |
| Wiley ID | 1607604 |