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(2R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2-((trifluoromethyl)selanyl)hexadecahydro-3H-cyclopenta[a]phenanthren-3-one

View entire compound with spectra: 1 MS (GC)

(2R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2-((trifluoromethyl)selanyl)hexadecahydro-3H-cyclopenta[a]phenanthren-3-one
SpectraBase Compound ID AKfB3YfQEOz
InChI InChI=1S/C28H45F3OSe/c1-17(2)7-6-8-18(3)21-11-12-22-20-10-9-19-15-24(32)25(33-28(29,30)31)16-27(19,5)23(20)13-14-26(21,22)4/h17-23,25H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,25-,26-,27+/m1/s1
InChIKey BKRQAJQRNKDQAW-ZCBMJONGSA-N
Mol Weight 533.6 g/mol
Molecular Formula C28H45F3OSe
Exact Mass 534.258773 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KFvRg5dUpLB
Name (2R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2-((trifluoromethyl)selanyl)hexadecahydro-3H-cyclopenta[a]phenanthren-3-one
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H45F3OSe
InChI InChI=1S/C28H45F3OSe/c1-17(2)7-6-8-18(3)21-11-12-22-20-10-9-19-15-24(32)25(33-28(29,30)31)16-27(19,5)23(20)13-14-26(21,22)4/h17-23,25H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,25-,26-,27+/m1/s1
InChIKey BKRQAJQRNKDQAW-ZCBMJONGSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800237
Molecular Weight 533.634 g/mol
Quality 67
SMILES [C@]12([C@@]([C@@]3([C@@](CC2)(CC([C@@](C3)([Se]C(F)(F)F)[H])=O)[H])C)(CC[C@]2([C@]1(CC[C@@]2([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])[H]
SPLASH splash10-057j-9112020000-d521eb9c068fafbe8400
Sample Comments 2-trifluoromethylthio-5alpha-cholestan-3-one
Source of Spectrum K1-2018-3682-3a (DOI: 10.1002/ejoc.201800237)
Wiley ID 1894139