| SpectraBase Compound ID | A0xYZopHHjc |
|---|---|
| InChI | InChI=1S/C27H46N2O3/c1-16-5-8-23(29(15-16)28-32)17(2)25-24(31)14-22-20-7-6-18-13-19(30)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-25,30-31H,5-15H2,1-4H3 |
| InChIKey | VBJUSTDQWZEPOB-UHFFFAOYSA-N |
| Mol Weight | 446.7 g/mol |
| Molecular Formula | C27H46N2O3 |
| Exact Mass | 446.350843 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7HP5vjQQLzD |
|---|---|
| Name | 20-(5-Methyl-1-nitroso-2-piperidinyl)pregnane-3,16-diol |
| Alternate Name(s) | N-Nitroso-dihydro-tomatidine 10,13-dimethyl-17-[1-(5-methyl-1-nitroso-2-piperidinyl)ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol 10,13-dimethyl-17-[1-(5-methyl-1-nitrosopiperidin-2-yl)ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol 10,13-dimethyl-17-[1-(5-methyl-1-nitroso-piperidin-2-yl)ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H46N2O3 |
| InChI | InChI=1S/C27H46N2O3/c1-16-5-8-23(29(15-16)28-32)17(2)25-24(31)14-22-20-7-6-18-13-19(30)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-25,30-31H,5-15H2,1-4H3 |
| InChIKey | VBJUSTDQWZEPOB-UHFFFAOYSA-N |
| Molecular Weight | 446.676 g/mol |
| SMILES | OC1CC2C(CCC3C4(C(CC(O)CC4)CCC23)C)(C)C1C(C1N(N=O)CC(C)CC1)C |
| SPLASH | splash10-0002-9100000000-7b7fad553163147b5ddb |
| Source of Spectrum | NP-15-2535-0 |
| Wiley ID | 1112377 |