| SpectraBase Compound ID | 6c2BK5AffWU |
|---|---|
| InChI | InChI=1S/C21H36N2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19H,5-12,22-23H2,1-3H3 |
| InChIKey | XDELLWIDOQOKHV-UHFFFAOYSA-N |
| Mol Weight | 316.5 g/mol |
| Molecular Formula | C21H36N2 |
| Exact Mass | 316.287849 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Km7Bkmb4rKn |
|---|---|
| Name | Pregn-5-ene-3,20-diamine, (3.beta.,20S)- |
| Alternate Name(s) | Pregn-5-ene-3,20-diamine 1-(3-amino-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethylamine 17-(1-aminoethyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine 17-(1-azanylethyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine Irehdiamine A Irehidamine A Pregn-5-ene-3,20-diamine, (3-beta,20S)- Pregn-5-ene-3.beta.,20.alpha.-diamine |
| CAS Registry Number | 3614-57-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H36N2 |
| InChI | InChI=1S/C21H36N2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19H,5-12,22-23H2,1-3H3 |
| InChIKey | XDELLWIDOQOKHV-UHFFFAOYSA-N |
| Molecular Weight | 316.533 g/mol |
| SMILES | NC1CCC2(C(=CCC3C2CCC2(C3CCC2C(C)N)C)C1)C |
| SPLASH | splash10-0006-9240000000-17af83c085df8c6bd369 |
| Source of Spectrum | PL-1982-0-0 |
| Wiley ID | 1317322 |