| SpectraBase Compound ID | 7QHW6n9S9mq |
|---|---|
| InChI | InChI=1S/C29H46O2/c1-7-18(2)19(3)8-9-20(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-18,20,22-25,27,30H,3,7-16H2,1-2,4-6H3/t18?,20-,22?,23-,24?,25?,27?,28+,29-/m1/s1 |
| InChIKey | SKHJNKSCMROGMW-FKYUZMRLSA-N |
| Mol Weight | 426.7 g/mol |
| Molecular Formula | C29H46O2 |
| Exact Mass | 426.349781 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3bYzzVgpoOo |
|---|---|
| Name | 26-Methylergosta-5,24(28)-dien-7-oxo-3.beta.-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H46O2 |
| InChI | InChI=1S/C29H46O2/c1-7-18(2)19(3)8-9-20(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-18,20,22-25,27,30H,3,7-16H2,1-2,4-6H3/t18?,20-,22?,23-,24?,25?,27?,28+,29-/m1/s1 |
| InChIKey | SKHJNKSCMROGMW-FKYUZMRLSA-N |
| Molecular Weight | 426.685 g/mol |
| SMILES | OC1CC[C@@]2(C3CC[C@]4(C(C3C(C=C2C1)=O)CC[C@@]4([C@@](CCC(=C)C(CC)C)(C)[H])[H])C)C |
| SPLASH | splash10-0a70-6694300000-61b49188b53a715242c0 |
| Source of Spectrum | G4-64-1491-4 |
| Wiley ID | 1609293 |