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2-Phenanthrenol, tetradecahydro-1-(2-iodoethyl)-2,4b-dimethyl-, formate, [1S-(1.alpha.,2.beta.,4a.beta.,4b.alpha.,8a.beta.,10a.alpha.)]-
SpectraBase Compound ID 9GrJ8cExVdV
InChI InChI=1S/C19H31IO2/c1-18-10-4-3-5-14(18)6-7-15-16(18)8-11-19(2,22-13-21)17(15)9-12-20/h13-17H,3-12H2,1-2H3/t14-,15-,16+,17+,18+,19+/m1/s1
InChIKey HDEZNZHZZJZBIA-SVMUCYCZSA-N
Mol Weight 418.36 g/mol
Molecular Formula C19H31IO2
Exact Mass 418.136875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ebOEgCRxTP
Name 2-Phenanthrenol, tetradecahydro-1-(2-iodoethyl)-2,4b-dimethyl-, formate, [1S-(1.alpha.,2.beta.,4a.beta.,4b.alpha.,8a.beta.,10a.alpha.)]-
Alternate Name(s) (1S,2S,4aS,4bS,8aR,10aR)-1-(2-iodoethyl)-2,4b-dimethyltetradecahydro-2-phenanthrenyl formate
CAS Registry Number 83625-92-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H31IO2
InChI InChI=1S/C19H31IO2/c1-18-10-4-3-5-14(18)6-7-15-16(18)8-11-19(2,22-13-21)17(15)9-12-20/h13-17H,3-12H2,1-2H3/t14-,15-,16+,17+,18+,19+/m1/s1
InChIKey HDEZNZHZZJZBIA-SVMUCYCZSA-N
Molecular Weight 418.359 g/mol
SMILES [C@]12([C@@]3([C@@](CCCC3)([H])CC[C@]1([C@](CCI)([C@](CC2)(OC=O)C)[H])[H])C)[H]
SPLASH splash10-052b-9850000000-870eaee58dc76268e17a
Source of Spectrum J-50-2493-39
Wiley ID 1377047