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2-Heptanone, 6-(octahydro-4-hydroxy-7a-methyl-1H-inden-1-yl)-, [1R-[1.alpha.(R*),3a.beta.,4.alpha.,7a.alpha.]]-
SpectraBase Compound ID 2RPZQBcmW7V
InChI InChI=1S/C17H30O2/c1-12(6-4-7-13(2)18)14-9-10-15-16(19)8-5-11-17(14,15)3/h12,14-16,19H,4-11H2,1-3H3/t12?,14-,15-,16-,17+/m1/s1
InChIKey FLSIKZFKFXMPEQ-LJWMNGLYSA-N
Mol Weight 266.42 g/mol
Molecular Formula C17H30O2
Exact Mass 266.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IyGaK6dAgCl
Name 2-Heptanone, 6-(octahydro-4-hydroxy-7a-methyl-1H-inden-1-yl)-, [1R-[1.alpha.(R*),3a.beta.,4.alpha.,7a.alpha.]]-
Alternate Name(s) 6-[(1R,3aS,4R,7aS)-4-hydroxy-7a-methyloctahydro-1H-inden-1-yl]-2-heptanone De-a,b-27-norcholestan-8.beta.-ol-25-one
CAS Registry Number 100928-07-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H30O2
InChI InChI=1S/C17H30O2/c1-12(6-4-7-13(2)18)14-9-10-15-16(19)8-5-11-17(14,15)3/h12,14-16,19H,4-11H2,1-3H3/t12?,14-,15-,16-,17+/m1/s1
InChIKey FLSIKZFKFXMPEQ-LJWMNGLYSA-N
Molecular Weight 266.425 g/mol
SMILES O[C@]1([C@@]2([C@]([C@](CC2)(C(CCCC(=O)C)C)[H])(CCC1)C)[H])[H]
SPLASH splash10-0a4i-9100000000-4e015bfefb7f751c39d4
Source of Spectrum J-51-1271-7
Wiley ID 1270570