For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Pregn-4-en-3-one, 20,21-[(butylborylene)bis(oxy)]-, (20R)-
SpectraBase Compound ID 6YCz6Xyn3WR
InChI InChI=1S/C25H39BO3/c1-4-5-14-26-28-16-23(29-26)22-9-8-20-19-7-6-17-15-18(27)10-12-24(17,2)21(19)11-13-25(20,22)3/h15,19-23H,4-14,16H2,1-3H3/t19-,20-,21-,22+,23-,24-,25-/m0/s1
InChIKey RWCQCNZSJGYQQE-FDUPHUDESA-N
Mol Weight 398.4 g/mol
Molecular Formula C25H39BO3
Exact Mass 398.299225 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Aw5ZKe8J3qi
Name Pregn-4-en-3-one, 20,21-[(butylborylene)bis(oxy)]-, (20R)-
CAS Registry Number 30882-67-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H39BO3
InChI InChI=1S/C25H39BO3/c1-4-5-14-26-28-16-23(29-26)22-9-8-20-19-7-6-17-15-18(27)10-12-24(17,2)21(19)11-13-25(20,22)3/h15,19-23H,4-14,16H2,1-3H3/t19-,20-,21-,22+,23-,24-,25-/m0/s1
InChIKey RWCQCNZSJGYQQE-FDUPHUDESA-N
Molecular Weight 398.394 g/mol
SMILES [C@@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(CCC(=O)C4)C)[H])(CC[C@@]1([C@]1(OB(CCCC)OC1)[H])[H])[H])C
SPLASH splash10-00dl-7901000000-7fc59022196ce1b2ac07
Source of Spectrum AD-0-5145-0
Synonyms (17beta)-17-[(4R)-2-butyl-1,3,2-dioxaborolan-4-yl]androst-4-en-3-one 20.beta.,21-dihydroxypregn-4-en-3-one n-butyl boronate Pregn-4-en-3-one, 20.beta.,21-dihydroxy-, cyclic 1-butaneboronate
Wiley ID 56964