| SpectraBase Compound ID | 1CXNtUCw0z6 |
|---|---|
| InChI | InChI=1S/C27H42ClNO2/c1-16-7-12-27(29(28)15-16)17(2)24-23(31-27)14-22-20-6-5-18-13-19(30)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,30H,6-15H2,1-4H3/t16?,17-,19?,20?,21?,22?,23-,24-,25-,26-,27+/m0/s1 |
| InChIKey | WBSRJZJYFUEVEB-BKFCXFRSSA-N |
| Mol Weight | 448.1 g/mol |
| Molecular Formula | C27H42ClNO2 |
| Exact Mass | 447.290407 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4S3VSjYyzSo |
|---|---|
| Name | (25R)-N-Chloro-22-alpha-N-spirosol-5-en-3-beta-ol |
| CAS Registry Number | 18438-23-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42ClNO2 |
| InChI | InChI=1S/C27H42ClNO2/c1-16-7-12-27(29(28)15-16)17(2)24-23(31-27)14-22-20-6-5-18-13-19(30)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,30H,6-15H2,1-4H3/t16?,17-,19?,20?,21?,22?,23-,24-,25-,26-,27+/m0/s1 |
| InChIKey | WBSRJZJYFUEVEB-BKFCXFRSSA-N |
| Molecular Weight | 448.091 g/mol |
| SMILES | OC1CC[C@@]2(C3CC[C@@]4([C@]5([C@@]([C@@]6(O[C@]5(CC4C3CC=C2C1)[H])N(CC(CC6)C)Cl)(C)[H])[H])C)C |
| SPLASH | splash10-03dj-5900000000-9712df081e370e363b16 |
| Source of Spectrum | B-32-796-1g |
| Synonyms | N-Chlorosolasodine |
| Wiley ID | 1386972 |