| SpectraBase Compound ID | AM3xUQJCt2W |
|---|---|
| InChI | InChI=1S/C25H40O4/c1-15(13-23(27)28)20-7-8-21-19-6-5-17-14-18(29-16(2)26)9-11-24(17,3)22(19)10-12-25(20,21)4/h15,17-22H,5-14H2,1-4H3,(H,27,28)/t15?,17?,18-,19+,20?,21+,22+,24+,25-/m1/s1 |
| InChIKey | ZBPOVGXGDMDIKE-JXWLALHSSA-N |
| Mol Weight | 404.6 g/mol |
| Molecular Formula | C25H40O4 |
| Exact Mass | 404.29266 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KXaHydXLDxK |
|---|---|
| Name | 3.alpha.-Acetoxyandrostane-17-(3-butanoic acid) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H40O4 |
| InChI | InChI=1S/C25H40O4/c1-15(13-23(27)28)20-7-8-21-19-6-5-17-14-18(29-16(2)26)9-11-24(17,3)22(19)10-12-25(20,21)4/h15,17-22H,5-14H2,1-4H3,(H,27,28)/t15?,17?,18-,19+,20?,21+,22+,24+,25-/m1/s1 |
| InChIKey | ZBPOVGXGDMDIKE-JXWLALHSSA-N |
| Molecular Weight | 404.591 g/mol |
| SMILES | OC(CC(C1[C@@]2([C@]([C@@]3(CCC4[C@@]([C@]3(CC2)[H])(CC[C@@](OC(=O)C)(C4)[H])C)[H])(CC1)[H])C)C)=O |
| SPLASH | splash10-00kf-0089000000-ad97e413f6af51976102 |
| Source of Spectrum | SO-0-654-5 |
| Wiley ID | 1543313 |