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Pregn-4-en-3-one, 20,21-[[(1,1-dimethylethyl)borylene]bis(oxy)]-, (20R)-
SpectraBase Compound ID 6DF2p2T3ONM
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/h14,18-22H,6-13,15H2,1-5H3
InChIKey INZIPRXXNCZMSH-UHFFFAOYSA-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 39TIFu1Phmm
Name Pregn-4-en-3-one, 20,21-[[(1,1-dimethylethyl)borylene]bis(oxy)]-, (20R)-
CAS Registry Number 30882-66-7
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/h14,18-22H,6-13,15H2,1-5H3
InChIKey INZIPRXXNCZMSH-UHFFFAOYSA-N
Molecular Weight 398.394 g/mol
SMILES CC12C(C3C(CC2)C2(C)C(CC3)=CC(CC2)=O)CCC1C1OB(C(C)(C)C)OC1
SPLASH splash10-00di-3902000000-68d099e73b16731c0b5e
Source of Spectrum O-5-1448-4
Synonyms 17-(2-tert-Butyl-1,3,2-dioxaborolan-4-yl)androst-4-en-3-one 17-(2-tert-butyl-1,3,2-dioxaborolan-4-yl)-10,13-dimethyl-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 2-methyl-2-propaneboronate
Wiley ID 56963