![Pregn-4-ene-3,20-dione, 17,21-[(phenylborylene)bis(oxy)]-](/api/spectrum/BI7sIaSrLlx/structure.png?h=300&w=458 "Pregn-4-ene-3,20-dione, 17,21-[(phenylborylene)bis(oxy)]-")
| SpectraBase Compound ID | 7x39dIX2tWo |
|---|---|
| InChI | InChI=1S/C27H33BO4/c1-25-13-10-20(29)16-18(25)8-9-21-22(25)11-14-26(2)23(21)12-15-27(26)24(30)17-31-28(32-27)19-6-4-3-5-7-19/h3-7,16,21-23H,8-15,17H2,1-2H3 |
| InChIKey | HOIUIUHSYBLGMA-UHFFFAOYSA-N |
| Mol Weight | 432.4 g/mol |
| Molecular Formula | C27H33BO4 |
| Exact Mass | 432.24719 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BI7sIaSrLlx |
|---|---|
| Name | Pregn-4-ene-3,20-dione, 17,21-[(phenylborylene)bis(oxy)]- |
| Alternate Name(s) | 10',13'-dimethyl-2-phenyl-spiro[1,3,2-dioxaborinane-4,17'-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-3',5-dione 10',13'-dimethyl-2-phenyl-spiro[1,3,2-dioxaborinane-4,17'-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-3',5-quinone Pregn-4-ene-3,20-dione, 17,21-dihydroxy-, cyclic benzeneboronate |
| CAS Registry Number | 30888-55-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H33BO4 |
| InChI | InChI=1S/C27H33BO4/c1-25-13-10-20(29)16-18(25)8-9-21-22(25)11-14-26(2)23(21)12-15-27(26)24(30)17-31-28(32-27)19-6-4-3-5-7-19/h3-7,16,21-23H,8-15,17H2,1-2H3 |
| InChIKey | HOIUIUHSYBLGMA-UHFFFAOYSA-N |
| Molecular Weight | 432.367 g/mol |
| SMILES | c1(B2OCC(C3(CCC4C5CCC6=CC(CCC6(C)C5CCC34C)=O)O2)=O)ccccc1 |
| SPLASH | splash10-05fu-0950100000-5c541fe55a63aaa8541e |
| Source of Spectrum | O-5-1432-1 |
| Wiley ID | 1382447 |