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Pregna-4,17(20)-dien-3-one, 20,21-[(methylborylene)bis(oxy)]-
SpectraBase Compound ID FODeFphDSUw
InChI InChI=1S/C22H31BO3/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/h12,16-18H,4-11,13H2,1-3H3/b20-19+
InChIKey MRQNHDCUXIFHHR-FMQUCBEESA-N
Mol Weight 354.3 g/mol
Molecular Formula C22H31BO3
Exact Mass 354.236625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fui1Tq47kYC
Name Pregna-4,17(20)-dien-3-one, 20,21-[(methylborylene)bis(oxy)]-
Alternate Name(s) 17-(2-Methyl-1,3,2-dioxaborolan-4-ylidene)androst-4-en-3-one (17E)-10,13-dimethyl-17-(2-methyl-1,3,2-dioxaborolan-4-ylidene)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one Pregna-4,17(20)-dien-3-one, 20,21-dihydroxy-, cyclic methaneboronate
CAS Registry Number 31012-59-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31BO3
InChI InChI=1S/C22H31BO3/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/h12,16-18H,4-11,13H2,1-3H3/b20-19+
InChIKey MRQNHDCUXIFHHR-FMQUCBEESA-N
Molecular Weight 354.297 g/mol
SMILES CB1OC\C(O1)=C\1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
SPLASH splash10-03di-4901000000-c15009711be4acc7524a
Source of Spectrum AD-0-5143-0
Wiley ID 52537