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[1S-(1.alpha.,2.beta.,4a.beta.,4b.alpha.,8a.beta.,10a.alpha.)]-Tetradecahydro-1-(2-iodoethyl)-2-(iodomethyl)-4b-methyl-2-phenanthrenol formate

View entire compound with spectra: 1 MS (GC)

[1S-(1.alpha.,2.beta.,4a.beta.,4b.alpha.,8a.beta.,10a.alpha.)]-Tetradecahydro-1-(2-iodoethyl)-2-(iodomethyl)-4b-methyl-2-phenanthrenol formate
SpectraBase Compound ID 1XMQsNUrgQn
InChI InChI=1S/C19H30I2O2/c1-18-9-3-2-4-14(18)5-6-15-16(18)7-10-19(12-21,23-13-22)17(15)8-11-20/h13-17H,2-12H2,1H3/t14-,15-,16+,17+,18+,19-/m1/s1
InChIKey IXYVNCZZTBJXJI-VLUPQCQJSA-N
Mol Weight 544.26 g/mol
Molecular Formula C19H30I2O2
Exact Mass 544.03352 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3TiUrZLTPmj
Name [1S-(1.alpha.,2.beta.,4a.beta.,4b.alpha.,8a.beta.,10a.alpha.)]-Tetradecahydro-1-(2-iodoethyl)-2-(iodomethyl)-4b-methyl-2-phenanthrenol formate
Alternate Name(s) (1S,2S,4aS,4bS,8aR,10aR)-1-(2-iodoethyl)-2-(iodomethyl)-4b-methyltetradecahydro-2-phenanthrenyl formate
CAS Registry Number 91712-60-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H30I2O2
InChI InChI=1S/C19H30I2O2/c1-18-9-3-2-4-14(18)5-6-15-16(18)7-10-19(12-21,23-13-22)17(15)8-11-20/h13-17H,2-12H2,1H3/t14-,15-,16+,17+,18+,19-/m1/s1
InChIKey IXYVNCZZTBJXJI-VLUPQCQJSA-N
Molecular Weight 544.256 g/mol
SMILES [C@]12([C@@]3([C@@](CCCC3)([H])CC[C@]1([C@](CCI)([C@](CC2)(OC=O)CI)[H])[H])C)[H]
SPLASH splash10-05ai-9837000000-270431d9d0ebb2055424
Source of Spectrum J-49-3759-0
Wiley ID 1404992