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4H-Inden-4-one, octahydro-7a-methyl-1-[1-methyl-4-(2-methyl-1,3-dioxolan-2-yl)butyl]-, [1R-[1.alpha.(R*),3a.beta.,7a.alpha.]]-
SpectraBase Compound ID 8scp7hpgLpT
InChI InChI=1S/C19H32O3/c1-14(6-4-11-19(3)21-12-13-22-19)15-8-9-16-17(20)7-5-10-18(15,16)2/h14-16H,4-13H2,1-3H3/t14?,15-,16+,18-/m1/s1
InChIKey ZZOPAKYABOWCFG-YCXXCVGLSA-N
Mol Weight 308.5 g/mol
Molecular Formula C19H32O3
Exact Mass 308.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID R5cNZ5rwfB
Name 4H-Inden-4-one, octahydro-7a-methyl-1-[1-methyl-4-(2-methyl-1,3-dioxolan-2-yl)butyl]-, [1R-[1.alpha.(R*),3a.beta.,7a.alpha.]]-
CAS Registry Number 100928-09-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H32O3
InChI InChI=1S/C19H32O3/c1-14(6-4-11-19(3)21-12-13-22-19)15-8-9-16-17(20)7-5-10-18(15,16)2/h14-16H,4-13H2,1-3H3/t14?,15-,16+,18-/m1/s1
InChIKey ZZOPAKYABOWCFG-YCXXCVGLSA-N
Molecular Weight 308.462 g/mol
SMILES [C@]12([C@@](CC[C@@]2(C(CCCC2(OCCO2)C)C)[H])(C(=O)CCC1)[H])C
SPLASH splash10-01sa-9600000000-2bfd64fab1fdd07ac28b
Source of Spectrum J-51-1271-7
Synonyms (1R,3aR,7aR)-7a-methyl-1-[1-methyl-4-(2-methyl-1,3-dioxolan-2-yl)butyl]octahydro-4H-inden-4-one De-a,b-25,25-(ethylenedioxy)-27-norchlestan-8-one
Wiley ID 1310142