![20-(N,N-Dimethylamino)-3.beta.-[N-(3'-phenylpropyl)]-N-(methylamido))-pregnane](/api/spectrum/BMJV7ExHeQ9/structure.png?h=300&w=458 "20-(N,N-Dimethylamino)-3.beta.-[N-(3'-phenylpropyl)]-N-(methylamido))-pregnane")
| SpectraBase Compound ID | DhKT5rMdxWG |
|---|---|
| InChI | InChI=1S/C33H52N2O/c1-23(34(4)5)28-15-16-29-27-14-13-25-22-26(18-20-32(25,2)30(27)19-21-33(28,29)3)35(6)31(36)17-12-24-10-8-7-9-11-24/h7-11,23,25-30H,12-22H2,1-6H3/t23-,25-,26-,27-,28+,29-,30-,32-,33+/m0/s1 |
| InChIKey | JSCQAKFYDNDOCI-BKGYVUQHSA-N |
| Mol Weight | 492.8 g/mol |
| Molecular Formula | C33H52N2O |
| Exact Mass | 492.407964 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BMJV7ExHeQ9 |
|---|---|
| Name | 20-(N,N-Dimethylamino)-3.beta.-[N-(3'-phenylpropyl)]-N-(methylamido))-pregnane |
| Alternate Name(s) | N-[(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-N-methyl-3-phenylpropanamide N-[(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-N-methyl-3-phenyl-propanamide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H52N2O |
| InChI | InChI=1S/C33H52N2O/c1-23(34(4)5)28-15-16-29-27-14-13-25-22-26(18-20-32(25,2)30(27)19-21-33(28,29)3)35(6)31(36)17-12-24-10-8-7-9-11-24/h7-11,23,25-30H,12-22H2,1-6H3/t23-,25-,26-,27-,28+,29-,30-,32-,33+/m0/s1 |
| InChIKey | JSCQAKFYDNDOCI-BKGYVUQHSA-N |
| Molecular Weight | 492.792 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](N(C(=O)CCc2ccccc2)C)(C4)[H])C)[H])[H])(CC[C@@]1([C@@](N(C)C)(C)[H])[H])[H])C |
| SPLASH | splash10-00di-9000200000-469bbd1265690ee689df |
| Source of Spectrum | G4-61-205-4 |
| Wiley ID | 1607122 |