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2-Naphthalenepropanal, decahydro-2,5-dimethyl-.beta.-(1-methylethyl)-1,6-dioxo-5-(3-oxobutyl)-, [2R-[2.alpha.(S*),4a.alpha.,5.alpha.,8a.beta.]]-

View entire compound with spectra: 1 MS (GC)

2-Naphthalenepropanal, decahydro-2,5-dimethyl-.beta.-(1-methylethyl)-1,6-dioxo-5-(3-oxobutyl)-, [2R-[2.alpha.(S*),4a.alpha.,5.alpha.,8a.beta.]]-
SpectraBase Compound ID LoeOhyUmRd0
InChI InChI=1S/C22H34O4/c1-14(2)17(10-13-23)22(5)12-9-18-16(20(22)26)6-7-19(25)21(18,4)11-8-15(3)24/h13-14,16-18H,6-12H2,1-5H3/t16-,17?,18+,21-,22-/m1/s1
InChIKey VXOMAQMATZVXAH-JRPQGUIWSA-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 JzTC2HstU0I
Name 2-Naphthalenepropanal, decahydro-2,5-dimethyl-.beta.-(1-methylethyl)-1,6-dioxo-5-(3-oxobutyl)-, [2R-[2.alpha.(S*),4a.alpha.,5.alpha.,8a.beta.]]-
Alternate Name(s) 20-Methyl-3,5,14-trioxo-4,5:14,15-diseco-17.alpha.-pregnan-15-al 3-[(2R,4aS,5R,8aR)-2,5-dimethyl-1,6-dioxo-5-(3-oxobutyl)decahydro-2-naphthalenyl]-4-methylpentanal
CAS Registry Number 66789-01-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O4
InChI InChI=1S/C22H34O4/c1-14(2)17(10-13-23)22(5)12-9-18-16(20(22)26)6-7-19(25)21(18,4)11-8-15(3)24/h13-14,16-18H,6-12H2,1-5H3/t16-,17?,18+,21-,22-/m1/s1
InChIKey VXOMAQMATZVXAH-JRPQGUIWSA-N
Molecular Weight 362.510 g/mol
SMILES [C@@]1(C([C@@]2(CCC([C@@]([C@]2(CC1)[H])(CCC(=O)C)C)=O)[H])=O)(C(C(C)C)CC=O)C
SPLASH splash10-03di-0194000000-3224fd7ba7ffd9e4b199
Source of Spectrum K-111-1412-0
Wiley ID 1349839