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1,4-Cyclohexanedione, 3-methyl-2-[2-[1-methyl-2-(1-methylethyl)-5-oxocyclopentyl]ethyl]-3-(3-oxobutyl)-, [2R-[2.alpha.(1R*,2R*),3.beta.]]-

View entire compound with spectra: 1 MS (GC)

1,4-Cyclohexanedione, 3-methyl-2-[2-[1-methyl-2-(1-methylethyl)-5-oxocyclopentyl]ethyl]-3-(3-oxobutyl)-, [2R-[2.alpha.(1R*,2R*),3.beta.]]-
SpectraBase Compound ID CN65koFedrH
InChI InChI=1S/C22H34O4/c1-14(2)16-6-8-19(25)21(16,4)13-11-17-18(24)7-9-20(26)22(17,5)12-10-15(3)23/h14,16-17H,6-13H2,1-5H3/t16?,17-,21?,22+/m0/s1
InChIKey XOZWARHMBSMMLA-KKJIAGKASA-N
Mol Weight 362.5 g/mol
Molecular Formula C22H34O4
Exact Mass 362.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 477sN664ybp
Name 1,4-Cyclohexanedione, 3-methyl-2-[2-[1-methyl-2-(1-methylethyl)-5-oxocyclopentyl]ethyl]-3-(3-oxobutyl)-, [2R-[2.alpha.(1R*,2R*),3.beta.]]-
Alternate Name(s) (2R,3R)-3-[2-(2-isopropyl-1-methyl-5-oxocyclopentyl)ethyl]-2-methyl-2-(3-oxobutyl)-1,4-cyclohexanedione 20-Methyl-4,5:8,14-diseco-pregnan-3,4,5-triketo-15-carbaldehyde
CAS Registry Number 62008-69-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O4
InChI InChI=1S/C22H34O4/c1-14(2)16-6-8-19(25)21(16,4)13-11-17-18(24)7-9-20(26)22(17,5)12-10-15(3)23/h14,16-17H,6-13H2,1-5H3/t16?,17-,21?,22+/m0/s1
InChIKey XOZWARHMBSMMLA-KKJIAGKASA-N
Molecular Weight 362.510 g/mol
SMILES C1(C(CCC1=O)C(C)C)(CC[C@@]1([C@](C(=O)CCC1=O)(CCC(=O)C)C)[H])C
SPLASH splash10-03di-0093000000-e52ff79966face31cf7a
Source of Spectrum F-34-711-0
Wiley ID 1349836