| SpectraBase Compound ID | 5RWumx1vxMP |
|---|---|
| InChI | InChI=1S/C22H37BO4/c1-21-9-8-14(24)10-13(21)4-5-15-16-6-7-17(19-12-26-23(3)27-19)22(16,2)11-18(25)20(15)21/h13-20,24-25H,4-12H2,1-3H3 |
| InChIKey | QASBNCYVHVTGML-UHFFFAOYSA-N |
| Mol Weight | 376.3 g/mol |
| Molecular Formula | C22H37BO4 |
| Exact Mass | 376.27849 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | En12xcbu7dM |
|---|---|
| Name | Pregnane-3,11,20,21-tetrol, cyclic 20,21-(methylboronate), (3.alpha.,5.alpha.,11.beta.,20R)- |
| CAS Registry Number | 30882-72-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H37BO4 |
| InChI | InChI=1S/C22H37BO4/c1-21-9-8-14(24)10-13(21)4-5-15-16-6-7-17(19-12-26-23(3)27-19)22(16,2)11-18(25)20(15)21/h13-20,24-25H,4-12H2,1-3H3 |
| InChIKey | QASBNCYVHVTGML-UHFFFAOYSA-N |
| Molecular Weight | 376.344 g/mol |
| SMILES | OC1CC2(C(C3C1C1(C(CC(CC1)O)CC3)C)CCC2C1OB(C)OC1)C |
| SPLASH | splash10-052f-8932000000-ffe82dc7e59f11a4eedf |
| Source of Spectrum | AD-0-5148-0 |
| Synonyms | Pregnane-3,11,20,21-tetrol, cyclic 20,21-(methylboronate), (3.alpha.,5.alpha.,11.beta.,20S)- 17-(2-Methyl-1,3,2-dioxaborolan-4-yl)androstane-3,11-diol 10,13-dimethyl-17-(2-methyl-1,3,2-dioxaborolan-4-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol 5.alpha.-Pregnane-3.alpha.,11.beta.,20.alpha.,21-tetrol, cyclic 20,21-methaneboronate 5.alpha.-Pregnane-3.alpha.,11.beta.,20.beta.,21-tetrol, cyclic 20,21-methaneboronate |
| Wiley ID | 1357908 |