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(20R)-des-A,B-24,24-Difluorocholestan-8-one
SpectraBase Compound ID KD5Tmwt6nWa
InChI InChI=1S/C18H30F2O2/c1-12(9-11-18(19,20)16(2,3)22)13-7-8-14-15(21)6-5-10-17(13,14)4/h12-14,22H,5-11H2,1-4H3/t12-,13-,14+,17-/m1/s1
InChIKey YMZSTWFSRUREIZ-VWPFQQQWSA-N
Mol Weight 316.43 g/mol
Molecular Formula C18H30F2O2
Exact Mass 316.221387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 34uUtUGFyy
Name (20R)-des-A,B-24,24-Difluorocholestan-8-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H30F2O2
InChI InChI=1S/C18H30F2O2/c1-12(9-11-18(19,20)16(2,3)22)13-7-8-14-15(21)6-5-10-17(13,14)4/h12-14,22H,5-11H2,1-4H3/t12-,13-,14+,17-/m1/s1
InChIKey YMZSTWFSRUREIZ-VWPFQQQWSA-N
Instrument Name Micromass AutoSpec
Ionization Type EI
Molecular Weight 316.433 g/mol
SMILES OC(C(CC[C@]([C@@]1([C@]2(CCCC([C@@]2(CC1)[H])=O)C)[H])(C)[H])(F)F)(C)C
SPLASH splash10-0m30-5901000000-a31082a42b0023c77b48
Source of Spectrum US20160347710A1
Wiley ID 1853186