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15,16-diiodo-15,16-seco-D-nor-5.alpha.-adrostane
SpectraBase Compound ID KMEn6rISJzG
InChI InChI=1S/C18H30I2/c1-17(12-20)10-8-15-14(16(17)11-19)7-6-13-5-3-4-9-18(13,15)2/h13-16H,3-12H2,1-2H3/t13-,14?,15?,16?,17-,18+/m1/s1
InChIKey RKEOBVABXHFNOX-BVBYZIEISA-N
Mol Weight 500.25 g/mol
Molecular Formula C18H30I2
Exact Mass 500.043691 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I5lBcQ611Tc
Name 15,16-diiodo-15,16-seco-D-nor-5.alpha.-adrostane
Alternate Name(s) (2S,4bS,8aR)-1,2-bis(iodomethyl)-2,4b-dimethyltetradecahydrophenanthrene 15,16-Diiodo-15,16-seco-D-nor-5.alpha.-nadrostane
CAS Registry Number 96034-27-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H30I2
InChI InChI=1S/C18H30I2/c1-17(12-20)10-8-15-14(16(17)11-19)7-6-13-5-3-4-9-18(13,15)2/h13-16H,3-12H2,1-2H3/t13-,14?,15?,16?,17-,18+/m1/s1
InChIKey RKEOBVABXHFNOX-BVBYZIEISA-N
Molecular Weight 500.247 g/mol
SMILES C12[C@@]3([C@@](CCCC3)([H])CCC1C([C@](CI)(C)CC2)CI)C
SPLASH splash10-0ab9-0906000000-c4c0b3d080b1966fbea8
Source of Spectrum J-55-2176-47
Wiley ID 1398783