SpectraBase Compound ID | 5Lgb24aZ0Ru |
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InChI | InChI=1S/C25H37NO5/c1-16(27)31-18-10-12-24(2)17(15-18)6-7-19-20-8-9-22(25(20,3)13-11-21(19)24)26-30-14-4-5-23(28)29/h6,18-21H,4-5,7-15H2,1-3H3,(H,28,29)/b26-22+/t18-,19-,20-,21-,24-,25-/m0/s1 |
InChIKey | HNWAKLVDEDXNAS-MJLBOZSLSA-N |
Mol Weight | 431.6 g/mol |
Molecular Formula | C25H37NO5 |
Exact Mass | 431.267173 g/mol |
SpectraBase Spectrum ID | AEuCG98xKQD |
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Name | 17-Oxoandrost-5-en-3.beta.-yl acetate - O-[3'-(hydroxycarbonyl)propyl]oxime |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C25H37NO5 |
InChI | InChI=1S/C25H37NO5/c1-16(27)31-18-10-12-24(2)17(15-18)6-7-19-20-8-9-22(25(20,3)13-11-21(19)24)26-30-14-4-5-23(28)29/h6,18-21H,4-5,7-15H2,1-3H3,(H,28,29)/b26-22+/t18-,19-,20-,21-,24-,25-/m0/s1 |
InChIKey | HNWAKLVDEDXNAS-MJLBOZSLSA-N |
Molecular Weight | 431.573 g/mol |
SMILES | OC(CCCO\N=C\1[C@]2(CC[C@@]3([C@@]4(C(=CC[C@]3([C@@]2(CC1)[H])[H])C[C@@](OC(=O)C)(CC4)[H])C)[H])C)=O |
SPLASH | splash10-014i-3093000000-d35bf75f3230cbc540dc |
Source of Spectrum | G-62-462-4 |
Synonyms | 4-({[(3beta)-3-(acetyloxy)androst-5-en-17-ylidene]amino}oxy)butanoic acid |
Wiley ID | 749277 |