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Estr-5(10)-ene-6.beta.-methanol, 3.alpha.-fluoro-17.beta.-hydroxy-, 17-acetate methanesulfonate
SpectraBase Compound ID CfcAaXV7AG3
InChI InChI=1S/C22H33FO5S/c1-13(24)28-21-7-6-20-19-10-14(12-27-29(3,25)26)18-11-15(23)4-5-16(18)17(19)8-9-22(20,21)2/h14-15,17,19-21H,4-12H2,1-3H3/t14?,15?,17?,19?,20?,21?,22-/m0/s1
InChIKey RHNMMYXZJDAOMI-ZHZPCCBFSA-N
Mol Weight 428.6 g/mol
Molecular Formula C22H33FO5S
Exact Mass 428.203273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4N62zjK30sC
Name Estr-5(10)-ene-6.beta.-methanol, 3.alpha.-fluoro-17.beta.-hydroxy-, 17-acetate methanesulfonate
Alternate Name(s) Estr-5(10)-ene-6.beta.-methanol, 3.beta.-fluoro-17.beta.-hydroxy-, 17-acetate methanesulfonate 3-Fluoro-6-([(methylsulfonyl)oxy]methyl)estr-5(10)-en-17-yl acetate 3.beta.-fluoro-6.beta.-methanesulfonato-17.beta.-acetoxy-estr-5(10)-ene 3-Fluoro-6.beta.-methane sulfonoxymethyl-17.beta.-acetoxy androst-5(10)-ene 3.alpha.-fluoro-6.beta.-methanesulfonato-17.beta.-acetoxy-estr-5(10)-ene 3.beta.-fluoro-6.beta.-methanesulfonoxymethyl-17.beta.-acetoxyandrost-5(10)-ene
CAS Registry Number 28526-85-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H33FO5S
InChI InChI=1S/C22H33FO5S/c1-13(24)28-21-7-6-20-19-10-14(12-27-29(3,25)26)18-11-15(23)4-5-16(18)17(19)8-9-22(20,21)2/h14-15,17,19-21H,4-12H2,1-3H3/t14?,15?,17?,19?,20?,21?,22-/m0/s1
InChIKey RHNMMYXZJDAOMI-ZHZPCCBFSA-N
Molecular Weight 428.559 g/mol
SMILES C12=C(C(COS(=O)(=O)C)CC3C2CC[C@@]2(C(OC(=O)C)CCC32)C)CC(CC1)F
SPLASH splash10-001i-3933000000-4229f04ceefc2ba8633d
Source of Spectrum O4-0-343-0
Wiley ID 1380645