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Pregn-4-en-3-one, 20,21-[(phenylborylene)bis(oxy)]-, (20R)-
SpectraBase Compound ID DFwwWQ5xQZi
InChI InChI=1S/C27H35BO3/c1-26-14-12-20(29)16-18(26)8-9-21-22-10-11-24(27(22,2)15-13-23(21)26)25-17-30-28(31-25)19-6-4-3-5-7-19/h3-7,16,21-25H,8-15,17H2,1-2H3
InChIKey BGBOWOAQYDZQBP-UHFFFAOYSA-N
Mol Weight 418.4 g/mol
Molecular Formula C27H35BO3
Exact Mass 418.267925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AizD5eP028h
Name Pregn-4-en-3-one, 20,21-[(phenylborylene)bis(oxy)]-, (20R)-
CAS Registry Number 30882-69-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H35BO3
InChI InChI=1S/C27H35BO3/c1-26-14-12-20(29)16-18(26)8-9-21-22-10-11-24(27(22,2)15-13-23(21)26)25-17-30-28(31-25)19-6-4-3-5-7-19/h3-7,16,21-25H,8-15,17H2,1-2H3
InChIKey BGBOWOAQYDZQBP-UHFFFAOYSA-N
Molecular Weight 418.384 g/mol
SMILES c1(B2OCC(C3CCC4C5CCC6=CC(CCC6(C)C5CCC34C)=O)O2)ccccc1
SPLASH splash10-00di-0900000000-1f0f017f66bae165cc9a
Source of Spectrum O-5-1436-17
Synonyms 17-(2-Phenyl-1,3,2-dioxaborolan-4-yl)androst-4-en-3-one 10,13-dimethyl-17-(2-phenyl-1,3,2-dioxaborolan-4-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Pregn-4-en-3-one, 20.beta.,21-dihydroxy-, cyclic benzeneboronate
Wiley ID 1377433