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Pregn-4-en-3-one, 20,21-[(methyleneborylene)bis(oxy)]-, (20R)-
SpectraBase Compound ID KDlykYPGlMb
InChI InChI=1S/C22H33BO3/c1-21-10-8-15(24)12-14(21)4-5-16-17-6-7-19(20-13-25-23(3)26-20)22(17,2)11-9-18(16)21/h12,16-20H,4-11,13H2,1-3H3
InChIKey BZHGQTRIUSTJHC-UHFFFAOYSA-N
Mol Weight 356.3 g/mol
Molecular Formula C22H33BO3
Exact Mass 356.252275 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bu1nF6TIb47
Name Pregn-4-en-3-one, 20,21-[(methyleneborylene)bis(oxy)]-, (20R)-
Alternate Name(s) 17-(2-Methyl-1,3,2-dioxaborolan-4-yl)androst-4-en-3-one 10,13-dimethyl-17-(2-methyl-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 methaneboronate
CAS Registry Number 30882-65-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H33BO3
InChI InChI=1S/C22H33BO3/c1-21-10-8-15(24)12-14(21)4-5-16-17-6-7-19(20-13-25-23(3)26-20)22(17,2)11-9-18(16)21/h12,16-20H,4-11,13H2,1-3H3
InChIKey BZHGQTRIUSTJHC-UHFFFAOYSA-N
Molecular Weight 356.313 g/mol
SMILES CC12C(C3C(CC2)C2(C)C(CC3)=CC(CC2)=O)CCC1C1COB(O1)C
SPLASH splash10-00di-4911000000-470eefbebab0357d110e
Source of Spectrum O-5-1447-4
Wiley ID 52772