| SpectraBase Compound ID | JsycOs9FmFl |
|---|---|
| InChI | InChI=1S/C25H41N3O5/c1-12(22(32)23(33)13(2)27-28-26)15-5-6-16-14-9-19(29)18-10-20(30)21(31)11-25(18,4)17(14)7-8-24(15,16)3/h12-18,20-23,30-33H,5-11H2,1-4H3/t12-,13+,14?,15+,16?,17?,18?,20-,21+,22+,23+,24+,25+/m0/s1 |
| InChIKey | BXZFANNTMXFPHU-KEIKOCJJSA-N |
| Mol Weight | 463.6 g/mol |
| Molecular Formula | C25H41N3O5 |
| Exact Mass | 463.304621 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FoZBKusnwas |
|---|---|
| Name | (22R,23R,24R)-24-Azido-26,27,28-trinorcastasterone-2,3,22,23-tetraol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H41N3O5 |
| InChI | InChI=1S/C25H41N3O5/c1-12(22(32)23(33)13(2)27-28-26)15-5-6-16-14-9-19(29)18-10-20(30)21(31)11-25(18,4)17(14)7-8-24(15,16)3/h12-18,20-23,30-33H,5-11H2,1-4H3/t12-,13+,14?,15+,16?,17?,18?,20-,21+,22+,23+,24+,25+/m0/s1 |
| InChIKey | BXZFANNTMXFPHU-KEIKOCJJSA-N |
| Molecular Weight | 463.619 g/mol |
| SMILES | O[C@@]([C@@]([C@]([C@]1(CCC2C3C([C@]4(C[C@]([C@](CC4C(C3)=O)(O)[H])(O)[H])C)CC[C@]12C)[H])(C)[H])(O)[H])([C@](N=[N+]=[N-])(C)[H])[H] |
| SPLASH | splash10-0159-0009000000-c94779a70880506a5b4d |
| Source of Spectrum | HE-1999-202-3 |
| Wiley ID | 1613427 |