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Pregn-17(20)-en-3-one, 20,21-[[(1,1-dimethylethyl)borylene]bis(oxy)]-, (5.alpha.)-
SpectraBase Compound ID WPUTO632gt
InChI InChI=1S/C25H39BO3/c1-23(2,3)26-28-15-22(29-26)21-9-8-19-18-7-6-16-14-17(27)10-12-24(16,4)20(18)11-13-25(19,21)5/h16,18-20H,6-15H2,1-5H3/b22-21-
InChIKey NZUDYWMWCTYVBC-DQRAZIAOSA-N
Mol Weight 398.4 g/mol
Molecular Formula C25H39BO3
Exact Mass 398.299225 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H2qmsMlEbRo
Name Pregn-17(20)-en-3-one, 20,21-[[(1,1-dimethylethyl)borylene]bis(oxy)]-, (5.alpha.)-
CAS Registry Number 30881-78-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H39BO3
InChI InChI=1S/C25H39BO3/c1-23(2,3)26-28-15-22(29-26)21-9-8-19-18-7-6-16-14-17(27)10-12-24(16,4)20(18)11-13-25(19,21)5/h16,18-20H,6-15H2,1-5H3/b22-21-
InChIKey NZUDYWMWCTYVBC-DQRAZIAOSA-N
Molecular Weight 398.394 g/mol
SMILES CC(C)(C)B1OC\C(O1)=C/1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C
SPLASH splash10-0udi-4901000000-fa52d61046e87503be0d
Source of Spectrum O-5-1451-5
Synonyms 17-(2-tert-Butyl-1,3,2-dioxaborolan-4-ylidene)androstan-3-one 5.alpha.-Pregn-17(20)-en-3-one, 20,21-dihydroxy-, cyclic 2-methyl-2-propaneboronate
Wiley ID 56961