| SpectraBase Compound ID | HfboHNtcoyj |
|---|---|
| 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/h17-24,29H,5-16H2,1-4H3 |
| InChIKey | MSKAAWFUKWQOQS-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 | FGX5zdqu8WV |
|---|---|
| Name | (3beta,5alpha,25beta)-16,28-secosolanid-22(28)-en-3-ol |
| CAS Registry Number | 984-82-7 |
| Copyright | Copyright © 2020-2024 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/h17-24,29H,5-16H2,1-4H3 |
| InChIKey | MSKAAWFUKWQOQS-UHFFFAOYSA-N |
| Molecular Weight | 399.663 g/mol |
| SMILES | OC1CC2C(C3C(C4C(C)(CC3)C(CC4)C(C)C=3CCC(C)CN3)CC2)(C)CC1 |
| SPLASH | splash10-01t9-0902000000-b814eccc5e36250b7ebd |
| Source of Spectrum | B-32-814-0 |
| Synonyms | 10,13-dimethyl-17-[1-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol 16,28-Secosolanid-22(28)-en-3-ol, (3beta,5alpha,25beta)- Solacongestidine |
| Wiley ID | 1369129 |