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

View entire compound with spectra: 1 MS (GC)

(2R,5S,8R,9S,10S,13R,14S,17R)-2-((bromodifluoromethyl)selanyl)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)hexadecahydro-3H-cyclopenta[a]phenanthren-3-one
SpectraBase Compound ID Fhtw76spM26
InChI InChI=1S/C28H45BrF2OSe/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 RSEWEFDPWHVZIT-ZCBMJONGSA-N
Mol Weight 594.5 g/mol
Molecular Formula C28H45BrF2OSe
Exact Mass 594.178707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9gb9166rzUP
Name (2R,5S,8R,9S,10S,13R,14S,17R)-2-((bromodifluoromethyl)selanyl)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)hexadecahydro-3H-cyclopenta[a]phenanthren-3-one
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 594.178707394 u
Formula C28H45BrF2OSe
InChI InChI=1S/C28H45BrF2OSe/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 RSEWEFDPWHVZIT-ZCBMJONGSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800237
Molecular Weight 594.540 g/mol
Quality 67
SMILES [C@]12([C@@]([C@@]3([C@@](CC2)(CC([C@@](C3)([Se]C(F)(F)Br)[H])=O)[H])C)(CC[C@]2([C@]1(CC[C@@]2([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])[H]
SPLASH splash10-0bu1-9102020000-abfebf4bd8aee38f6f74
Source of Spectrum K1-2018-SM6-3c (DOI: 10.1002/ejoc.201800237)
Wiley ID 1894146