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Androsta-2,4-dien-3-ol, heptafluorobutanoate
SpectraBase Compound ID 5zc5OJSBzsw
InChI InChI=1S/C23H27F7O2/c1-19-9-3-4-16(19)15-6-5-13-12-14(7-11-20(13,2)17(15)8-10-19)32-18(31)21(24,25)22(26,27)23(28,29)30/h7,12,15-17H,3-6,8-11H2,1-2H3/t15-,16-,17-,19-,20-/m0/s1
InChIKey BHKNPBUBMLIZJH-TXTPUJOMSA-N
Mol Weight 468.46 g/mol
Molecular Formula C23H27F7O2
Exact Mass 468.189927 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6JYhnt6rauU
Name Androsta-2,4-dien-3-ol, heptafluorobutanoate
Alternate Name(s) 3-Heptafluorobutanoyloxy-2,4-androstadiene androsta-2,4-dien-3-yl 2,2,3,3,4,4,4-heptafluorobutanoate
CAS Registry Number 60881-92-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H27F7O2
InChI InChI=1S/C23H27F7O2/c1-19-9-3-4-16(19)15-6-5-13-12-14(7-11-20(13,2)17(15)8-10-19)32-18(31)21(24,25)22(26,27)23(28,29)30/h7,12,15-17H,3-6,8-11H2,1-2H3/t15-,16-,17-,19-,20-/m0/s1
InChIKey BHKNPBUBMLIZJH-TXTPUJOMSA-N
Molecular Weight 468.456 g/mol
SMILES C(C(C(OC=1C=C2CC[C@@]3([C@@]([C@]2(CC1)C)(CC[C@@]1(CCC[C@@]31[H])C)[H])[H])=O)(F)F)(C(F)(F)F)(F)F
SPLASH splash10-00kb-0901300000-accd10f2315aeadadd85
Source of Spectrum AN-85-343-0
Wiley ID 1392338