| SpectraBase Compound ID | 7iiiTF8kz2l |
|---|---|
| InChI | InChI=1S/C23H35NO6S/c1-14(25)19-6-7-20-18-5-4-16-12-17(30-15(2)26)8-11-23(16,13-29-31(24,27)28)21(18)9-10-22(19,20)3/h4,17-21H,5-13H2,1-3H3,(H2,24,27,28)/t17-,18?,19+,20?,21?,22+,23+/m0/s1 |
| InChIKey | OGMXOZNHXNBJQM-MZFPQETKSA-N |
| Mol Weight | 453.6 g/mol |
| Molecular Formula | C23H35NO6S |
| Exact Mass | 453.218509 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | jLBelu03Ny |
|---|---|
| Name | 3.beta.-Acetyloxy-20-oxopregn-5-en-19-yl sulfamate |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H35NO6S |
| InChI | InChI=1S/C23H35NO6S/c1-14(25)19-6-7-20-18-5-4-16-12-17(30-15(2)26)8-11-23(16,13-29-31(24,27)28)21(18)9-10-22(19,20)3/h4,17-21H,5-13H2,1-3H3,(H2,24,27,28)/t17-,18?,19+,20?,21?,22+,23+/m0/s1 |
| InChIKey | OGMXOZNHXNBJQM-MZFPQETKSA-N |
| Molecular Weight | 453.594 g/mol |
| SMILES | NS(OC[C@@]12C(=CCC3C4CC[C@@]([C@]4(CCC23)C)(C(=O)C)[H])C[C@@](OC(=O)C)(CC1)[H])(=O)=O |
| SPLASH | splash10-0zfr-0007900000-0e67bd35e1cf0f9fbf16 |
| Source of Spectrum | F-70-8615-5 |
| Synonyms | (3beta)-19-[(aminosulfonyl)oxy]-20-oxopregn-5-en-3-yl acetate |
| Wiley ID | 1597625 |