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1-Iodo-2,3,4-trinor-1,2-secocholestan-5-one
SpectraBase Compound ID BMauM4v0LJo
InChI InChI=1S/C24H41IO/c1-16(2)7-6-8-17(3)19-10-11-20-18-9-12-22(26)24(5,15-25)21(18)13-14-23(19,20)4/h16-21H,6-15H2,1-5H3/t17-,18+,19-,20+,21?,23-,24-/m1/s1
InChIKey ZNMFYMISRDXFRR-LMWOZXSPSA-N
Mol Weight 472.5 g/mol
Molecular Formula C24H41IO
Exact Mass 472.220211 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KkApy7bKOsp
Name 1-Iodo-2,3,4-trinor-1,2-secocholestan-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H41IO
InChI InChI=1S/C24H41IO/c1-16(2)7-6-8-17(3)19-10-11-20-18-9-12-22(26)24(5,15-25)21(18)13-14-23(19,20)4/h16-21H,6-15H2,1-5H3/t17-,18+,19-,20+,21?,23-,24-/m1/s1
InChIKey ZNMFYMISRDXFRR-LMWOZXSPSA-N
Molecular Weight 472.495 g/mol
SMILES [C@@]12([C@]([C@@]3(CCC([C@@](C3CC2)(CI)C)=O)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-00os-0359100000-c5ad3cb5f626e78e1ecb
Source of Spectrum J-60-8215-7
Synonyms (3R,3aR,6R,9aS,9bS)-3-[(1R)-1,5-dimethylhexyl]-6-(iodomethyl)-3a,6-dimethyldodecahydro-7H-cyclopenta[a]naphthalen-7-one
Wiley ID 1393302