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[1.alpha.(R*),2.beta.,5.alpha.]-5-Methyl-2-(1'-methylethyl)cyclohexyl-[3aR,7R,7aS]-7-(1',3'-benzodioxol-5'-yl)-octahydro-1H-indole-1-carboxylate

View entire compound with spectra: 1 MS (GC)

[1.alpha.(R*),2.beta.,5.alpha.]-5-Methyl-2-(1'-methylethyl)cyclohexyl-[3aR,7R,7aS]-7-(1',3'-benzodioxol-5'-yl)-octahydro-1H-indole-1-carboxylate
SpectraBase Compound ID 4YbuqLsYLxZ
InChI InChI=1S/C26H37NO4/c1-16(2)20-9-7-17(3)13-23(20)31-26(28)27-12-11-18-5-4-6-21(25(18)27)19-8-10-22-24(14-19)30-15-29-22/h8,10,14,16-18,20-21,23,25H,4-7,9,11-13,15H2,1-3H3/t17-,18-,20+,21-,23-,25+/m1/s1
InChIKey UVUYXQOVHGADEL-YCKNUBNFSA-N
Mol Weight 427.6 g/mol
Molecular Formula C26H37NO4
Exact Mass 427.272259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HUVMiEsPdOY
Name [1.alpha.(R*),2.beta.,5.alpha.]-5-Methyl-2-(1'-methylethyl)cyclohexyl-[3aR,7R,7aS]-7-(1',3'-benzodioxol-5'-yl)-octahydro-1H-indole-1-carboxylate
Alternate Name(s) (1R,2S,5R)-2-isopropyl-5-methylcyclohexyl (3aR,7R,7aS)-7-(1,3-benzodioxol-5-yl)octahydro-1H-indole-1-carboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H37NO4
InChI InChI=1S/C26H37NO4/c1-16(2)20-9-7-17(3)13-23(20)31-26(28)27-12-11-18-5-4-6-21(25(18)27)19-8-10-22-24(14-19)30-15-29-22/h8,10,14,16-18,20-21,23,25H,4-7,9,11-13,15H2,1-3H3/t17-,18-,20+,21-,23-,25+/m1/s1
InChIKey UVUYXQOVHGADEL-YCKNUBNFSA-N
Molecular Weight 427.585 g/mol
SMILES C(N1[C@@]2([C@@](c3cc4OCOc4cc3)(CCC[C@]2([H])CC1)[H])[H])(O[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])=O
SPLASH splash10-001i-9000200000-aad7cd511f8320037f14
Source of Spectrum J-65-4250-34
Wiley ID 1532689