| SpectraBase Compound ID | K6DbTucJwjS |
|---|---|
| InChI | InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16?,17-,18?,19?,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1 |
| InChIKey | GMBQZIIUCVWOCD-NRBCCYJRSA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C27H44O3 |
| Exact Mass | 416.329045 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3UoN7c1jLUz |
|---|---|
| Name | Neotigogenin |
| CAS Registry Number | 470-01-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O3 |
| InChI | InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16?,17-,18?,19?,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1 |
| InChIKey | GMBQZIIUCVWOCD-NRBCCYJRSA-N |
| Molecular Weight | 416.646 g/mol |
| SMILES | OC1CC[C@]2(C(C1)CC[C@]1([C@@]3(C[C@]4([H])O[C@]5([C@]([C@]4([H])[C@@]3(C)CC[C@]21[H])(C)[H])OCC(CC5)C)[H])[H])C |
| SPLASH | splash10-000i-0965100000-bbc36a8e886ad95e6c8b |
| Source of Spectrum | X4-26-413-0 |
| Synonyms | Spirostan-3-ol |
| Wiley ID | 1586313 |