| SpectraBase Compound ID | 1020k5un3t7 |
|---|---|
| InChI | InChI=1S/C27H45NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h13,16-17,19-25,28-30H,5-12,14-15H2,1-4H3 |
| InChIKey | KTHVWESUKDVAFL-UHFFFAOYSA-N |
| Mol Weight | 415.7 g/mol |
| Molecular Formula | C27H45NO2 |
| Exact Mass | 415.34503 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | A8IGZzVHM76 |
|---|---|
| Name | 20-(5-Methyl-2-piperidinyl)pregn-4-ene-3,16-diol |
| Alternate Name(s) | (22S,25S)-22,26-Epiminocholest-5-ene-3.beta.,16.alpha.-diol (deacetylmuldamine) 10,13-dimethyl-17-[1-(5-methyl-2-piperidinyl)ethyl]-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol 10,13-dimethyl-17-[1-(5-methylpiperidin-2-yl)ethyl]-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H45NO2 |
| InChI | InChI=1S/C27H45NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h13,16-17,19-25,28-30H,5-12,14-15H2,1-4H3 |
| InChIKey | KTHVWESUKDVAFL-UHFFFAOYSA-N |
| Molecular Weight | 415.662 g/mol |
| SMILES | N1CC(CCC1C(C1C(CC2C1(CCC1C2CCC=2C1(CCC(C2)O)C)C)O)C)C |
| SPLASH | splash10-0002-9200000000-d6c4f06da582d269d674 |
| Source of Spectrum | NP-14-7815-0 |
| Wiley ID | 1111989 |