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(2R,5S,8R,9S,10S,13R,14S,17R)-2-((difluoromethyl)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-((difluoromethyl)selanyl)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)hexadecahydro-3H-cyclopenta[a]phenanthren-3-one
SpectraBase Compound ID HVw93M0PIUa
InChI InChI=1S/C28H46F2OSe/c1-17(2)7-6-8-18(3)21-11-12-22-20-10-9-19-15-24(31)25(32-26(29)30)16-28(19,5)23(20)13-14-27(21,22)4/h17-23,25-26H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,25-,27-,28+/m1/s1
InChIKey FNFAQPZFZXRCIC-VCHNHXNMSA-N
Mol Weight 515.6 g/mol
Molecular Formula C28H46F2OSe
Exact Mass 516.268194 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5o9OMsOxQmp
Name (2R,5S,8R,9S,10S,13R,14S,17R)-2-((difluoromethyl)selanyl)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)hexadecahydro-3H-cyclopenta[a]phenanthren-3-one
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 516.268194426 u
Formula C28H46F2OSe
InChI InChI=1S/C28H46F2OSe/c1-17(2)7-6-8-18(3)21-11-12-22-20-10-9-19-15-24(31)25(32-26(29)30)16-28(19,5)23(20)13-14-27(21,22)4/h17-23,25-26H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,25-,27-,28+/m1/s1
InChIKey FNFAQPZFZXRCIC-VCHNHXNMSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800237
Molecular Weight 515.644 g/mol
Quality 76
SMILES [C@]12([C@@]([C@@]3([C@@](CC2)(CC([C@@](C3)([Se]C(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 splash10-052s-9217000000-bc6fa5043ca4f9d9747d
Source of Spectrum K1-2018-SM6-3b (DOI: 10.1002/ejoc.201800237)
Wiley ID 1894145