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2,3-Diiodo-2,3-seco-A-nor-5.alpha.-cholestane

View entire compound with spectra: 1 MS (GC)

2,3-Diiodo-2,3-seco-A-nor-5.alpha.-cholestane
SpectraBase Compound ID Ae9dvIUScHN
InChI InChI=1S/C26H46I2/c1-18(2)7-6-8-19(3)22-11-12-23-21-10-9-20(17-28)25(4,15-16-27)24(21)13-14-26(22,23)5/h18-24H,6-17H2,1-5H3/t19-,20+,21+,22-,23+,24+,25+,26-/m1/s1
InChIKey ZPOBXWDJTSPAHX-FHNVJLOUSA-N
Mol Weight 612.5 g/mol
Molecular Formula C26H46I2
Exact Mass 612.168891 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 34dsWwId2BR
Name 2,3-Diiodo-2,3-seco-A-nor-5.alpha.-cholestane
Alternate Name(s) (3R,3aR,5aS,6R,7R,9aS,9bS)-3-[(1R)-1,5-dimethylhexyl]-6-(2-iodoethyl)-7-(iodomethyl)-3a,6-dimethyldodecahydro-1H-cyclopenta[a]naphthalene
CAS Registry Number 96034-24-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H46I2
InChI InChI=1S/C26H46I2/c1-18(2)7-6-8-19(3)22-11-12-23-21-10-9-20(17-28)25(4,15-16-27)24(21)13-14-26(22,23)5/h18-24H,6-17H2,1-5H3/t19-,20+,21+,22-,23+,24+,25+,26-/m1/s1
InChIKey ZPOBXWDJTSPAHX-FHNVJLOUSA-N
Molecular Weight 612.463 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@]([C@@]([C@]3(CC2)[H])(CCI)C)(CI)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-0a4i-9000200000-318998c53fcec442b991
Source of Spectrum J-55-2173-9
Wiley ID 1411025