| SpectraBase Compound ID | 11boR6ThW6e |
|---|---|
| InChI | InChI=1S/C27H45NO/c1-17-5-10-25(28-16-17)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h6,17-18,20-25,28-29H,5,7-16H2,1-4H3 |
| InChIKey | SWTXHUUBYZNDAJ-UHFFFAOYSA-N |
| Mol Weight | 399.7 g/mol |
| Molecular Formula | C27H45NO |
| Exact Mass | 399.350115 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JZpZp9kCBsa |
|---|---|
| Name | 16,28-Secosolanid-5-en-3-ol, (3.beta.)- |
| CAS Registry Number | 20140-96-9 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H45NO |
| InChI | InChI=1S/C27H45NO/c1-17-5-10-25(28-16-17)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h6,17-18,20-25,28-29H,5,7-16H2,1-4H3 |
| InChIKey | SWTXHUUBYZNDAJ-UHFFFAOYSA-N |
| Molecular Weight | 399.663 g/mol |
| SMILES | OC1CC=2C(C3C(C4C(C(C(C5CCC(CN5)C)C)CC4)(C)CC3)CC2)(C)CC1 |
| SPLASH | splash10-0002-9000000000-f2a0c7d7e5b1ea73e54f |
| Source of Spectrum | AD-0-2605-0 |
| Synonyms | 20-(5-Methyl-2-piperidinyl)pregn-5-en-3-ol 10,13-dimethyl-17-[1-(5-methyl-2-piperidinyl)ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 10,13-dimethyl-17-[1-(5-methyl-2-piperidyl)ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 10,13-dimethyl-17-[1-(5-methylpiperidin-2-yl)ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol Pregn-5-en-3.beta.-ol, 20.alpha.-((2R,5S)-5-methyl-2-piperidyl)- |
| Wiley ID | 57061 |