![(17E)-21-[(EZ)-(3-Aminopropoxy)imino]-5.beta.-pregn-17-ene-3.beta.,14.beta.-diol](/api/spectrum/ERk2bHcRsFW/structure.png?h=300&w=458 "(17E)-21-[(EZ)-(3-Aminopropoxy)imino]-5.beta.-pregn-17-ene-3.beta.,14.beta.-diol")
| SpectraBase Compound ID | 50s84OscEiV |
|---|---|
| InChI | InChI=1S/C24H40N2O3/c1-22-10-7-19(27)16-18(22)4-5-21-20(22)8-11-23(2)17(6-12-24(21,23)28)9-14-26-29-15-3-13-25/h9,14,18-21,27-28H,3-8,10-13,15-16,25H2,1-2H3/b17-9+,26-14+/t18-,19+,20?,21?,22+,23-,24+/m1/s1 |
| InChIKey | JUXAUMSSWUKZQG-YGMTUGCVSA-N |
| Mol Weight | 404.6 g/mol |
| Molecular Formula | C24H40N2O3 |
| Exact Mass | 404.303893 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ERk2bHcRsFW |
|---|---|
| Name | (17E)-21-[(EZ)-(3-Aminopropoxy)imino]-5.beta.-pregn-17-ene-3.beta.,14.beta.-diol |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H40N2O3 |
| InChI | InChI=1S/C24H40N2O3/c1-22-10-7-19(27)16-18(22)4-5-21-20(22)8-11-23(2)17(6-12-24(21,23)28)9-14-26-29-15-3-13-25/h9,14,18-21,27-28H,3-8,10-13,15-16,25H2,1-2H3/b17-9+,26-14+/t18-,19+,20?,21?,22+,23-,24+/m1/s1 |
| InChIKey | JUXAUMSSWUKZQG-YGMTUGCVSA-N |
| Molecular Weight | 404.595 g/mol |
| SMILES | NCCCO\N=C\C=C\1[C@@]2([C@](CC1)(C1CC[C@@]3(C[C@](CC[C@@]3(C1CC2)C)(O)[H])[H])O)C |
| SPLASH | splash10-001i-0009000000-c1dedcdb825b9271116a |
| Source of Spectrum | F2-43-2346-50 |
| Wiley ID | 1600711 |