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Pregna-4,17(20)-dien-3-one, 20,21-[[(1,1-dimethylethyl)borylene]bis(oxy)]-
SpectraBase Compound ID 33AhW2bKDCV
InChI InChI=1S/C25H37BO3/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/h14,18-20H,6-13,15H2,1-5H3/b22-21-
InChIKey PFTXEWHOKZIXTP-DQRAZIAOSA-N
Mol Weight 396.4 g/mol
Molecular Formula C25H37BO3
Exact Mass 396.283575 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KNst15fQM2K
Name Pregna-4,17(20)-dien-3-one, 20,21-[[(1,1-dimethylethyl)borylene]bis(oxy)]-
Alternate Name(s) 17-(2-tert-Butyl-1,3,2-dioxaborolan-4-ylidene)androst-4-en-3-one Pregna-4,17(20)-dien-3-one, 20,21-dihydroxy-, cyclic 2-methyl-2-propaneboronate
CAS Registry Number 30888-36-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H37BO3
InChI InChI=1S/C25H37BO3/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/h14,18-20H,6-13,15H2,1-5H3/b22-21-
InChIKey PFTXEWHOKZIXTP-DQRAZIAOSA-N
Molecular Weight 396.378 g/mol
SMILES CC(C)(C)B1OC\C(O1)=C/1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
SPLASH splash10-0w2l-4912000000-f84527a7afb4782a1a85
Source of Spectrum AD-0-5144-0
Wiley ID 56790