| SpectraBase Compound ID | 1UaryvRn1gz |
|---|---|
| InChI | InChI=1S/C30H52O3/c1-19(8-9-20(2)28(4,5)32)25-12-13-26-24-11-10-22-18-23(33-21(3)31)14-16-29(22,6)27(24)15-17-30(25,26)7/h19-20,22-27,32H,8-18H2,1-7H3/t19-,20+,22+,23+,24+,25?,26?,27+,29+,30-/m1/s1 |
| InChIKey | QMRIENYHURUPKM-YZESFCAQSA-N |
| Mol Weight | 460.7 g/mol |
| Molecular Formula | C30H52O3 |
| Exact Mass | 460.391646 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6gzen4eqtet |
|---|---|
| Name | 25-Hydroxy-5.alpha.-ergastan-3.beta.-yl acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H52O3 |
| InChI | InChI=1S/C30H52O3/c1-19(8-9-20(2)28(4,5)32)25-12-13-26-24-11-10-22-18-23(33-21(3)31)14-16-29(22,6)27(24)15-17-30(25,26)7/h19-20,22-27,32H,8-18H2,1-7H3/t19-,20+,22+,23+,24+,25?,26?,27+,29+,30-/m1/s1 |
| InChIKey | QMRIENYHURUPKM-YZESFCAQSA-N |
| Molecular Weight | 460.743 g/mol |
| SMILES | OC([C@](CC[C@](C1[C@@]2(C([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])[H])CC1)C)(C)[H])(C)[H])(C)C |
| SPLASH | splash10-066r-0093100000-1cd3088a8f6a3549ee92 |
| Source of Spectrum | K-2001-2235-31 |
| Wiley ID | 1579684 |