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Pregn-17(20)-en-3-one, 20,21-[(methylborylene)bis(oxy)]-, (5.alpha.)-
SpectraBase Compound ID ENh2hwqSnUl
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/h14,16-18H,4-13H2,1-3H3/b20-19+
InChIKey USWJNLMPQBWLQK-FMQUCBEESA-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 3Q0f8tDXee3
Name Pregn-17(20)-en-3-one, 20,21-[(methylborylene)bis(oxy)]-, (5.alpha.)-
CAS Registry Number 31012-60-9
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/h14,16-18H,4-13H2,1-3H3/b20-19+
InChIKey USWJNLMPQBWLQK-FMQUCBEESA-N
Molecular Weight 356.313 g/mol
SMILES CB1OC\C(O1)=C\1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C
SPLASH splash10-03di-3901000000-791e705854b4776fac5a
Source of Spectrum O-5-1450-5
Synonyms 17-(2-Methyl-1,3,2-dioxaborolan-4-ylidene)androstan-3-one (17E)-10,13-dimethyl-17-(2-methyl-1,3,2-dioxaborolan-4-ylidene)-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one 5.alpha.-Pregn-17(20)-en-3-one, 20,21-dihydroxy-, cyclic methaneboronate
Wiley ID 52771