| SpectraBase Compound ID | BMAEfPOYSfs |
|---|---|
| InChI | InChI=1S/C36H52N2O/c1-26(39)32-16-17-34-31-15-14-29-22-30(38(3)24-28-12-8-5-9-13-28)18-20-35(29,2)33(31)19-21-36(32,34)25-37-23-27-10-6-4-7-11-27/h4-13,26,29-34,37,39H,14-25H2,1-3H3 |
| InChIKey | UROAENMKGQIECM-UHFFFAOYSA-N |
| Mol Weight | 528.8 g/mol |
| Molecular Formula | C36H52N2O |
| Exact Mass | 528.407964 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1k7DlPJ6SYP |
|---|---|
| Name | 5.alpha.-Pregnan-20.beta.-ol, 18-(benzylamino)-3.beta.-(benzylmethylamino)- |
| Alternate Name(s) | 18-(Benzylamino)-3-[benzyl(methyl)amino]pregnan-20-ol 1-[10-methyl-3-[methyl-(phenylmethyl)amino]-13-[[(phenylmethyl)amino]methyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol 1-[13-[(benzylamino)methyl]-3-[benzyl(methyl)amino]-10-methyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol |
| CAS Registry Number | 32095-46-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H52N2O |
| InChI | InChI=1S/C36H52N2O/c1-26(39)32-16-17-34-31-15-14-29-22-30(38(3)24-28-12-8-5-9-13-28)18-20-35(29,2)33(31)19-21-36(32,34)25-37-23-27-10-6-4-7-11-27/h4-13,26,29-34,37,39H,14-25H2,1-3H3 |
| InChIKey | UROAENMKGQIECM-UHFFFAOYSA-N |
| Molecular Weight | 528.825 g/mol |
| SMILES | N(Cc1ccccc1)CC12CCC3C4(CCC(CC4CCC3C1CCC2C(C)O)N(C)Cc1ccccc1)C |
| SPLASH | splash10-01vo-5920100000-c19a8dcdb78d7dfe3353 |
| Source of Spectrum | O-5-175-4 |
| Wiley ID | 1403165 |