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[1.alpha.(R*),2.beta.,5.alpha.]-5-Methyl-2-(1'-methylethyl)cyclohexyl-[3aS,7aR]-7-(1',3'-benzodioxol-5'-yl)-2,3,3a,4,5,7a-hexahydro-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-[3aS,7aR]-7-(1',3'-benzodioxol-5'-yl)-2,3,3a,4,5,7a-hexahydro-1H-indole-1-carboxylate
SpectraBase Compound ID 8cJGTD4Qw8Y
InChI InChI=1S/C26H35NO4/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/h6,8,10,14,16-18,20,23,25H,4-5,7,9,11-13,15H2,1-3H3/t17-,18+,20+,23-,25-/m1/s1
InChIKey XIYZTHJGQSFJSF-FRVZOLHNSA-N
Mol Weight 425.6 g/mol
Molecular Formula C26H35NO4
Exact Mass 425.256609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8INhUj7reNF
Name [1.alpha.(R*),2.beta.,5.alpha.]-5-Methyl-2-(1'-methylethyl)cyclohexyl-[3aS,7aR]-7-(1',3'-benzodioxol-5'-yl)-2,3,3a,4,5,7a-hexahydro-1H-indole-1-carboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H35NO4
InChI InChI=1S/C26H35NO4/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/h6,8,10,14,16-18,20,23,25H,4-5,7,9,11-13,15H2,1-3H3/t17-,18+,20+,23-,25-/m1/s1
InChIKey XIYZTHJGQSFJSF-FRVZOLHNSA-N
Molecular Weight 425.569 g/mol
SMILES C(N1[C@]2(C(c3cc4OCOc4cc3)=CCC[C@@]2([H])CC1)[H])(O[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])=O
SPLASH splash10-0udi-9000000000-f2f3e9166a52ef4aa671
Source of Spectrum J-65-4250-31
Synonyms (1R,2S,5R)-2-isopropyl-5-methylcyclohexyl (3aS,7aR)-7-(1,3-benzodioxol-5-yl)-2,3,3a,4,5,7a-hexahydro-1H-indole-1-carboxylate (3aS,7aR)-7-(1,3-benzodioxol-5-yl)-2,3,3a,4,5,7a-hexahydroindole-1-carboxylic acid[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]ester (3aS,7aR)-7-(1,3-benzodioxol-5-yl)-2,3,3a,4,5,7a-hexahydroindole-1-carboxylic acid[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]ester [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl](3aS,7aR)-7-(1,3-benzodioxol-5-yl)-2,3,3a,4,5,7a-hexahydroindole-1-carboxylate [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl](3aS,7aR)-7-(1,3-benzodioxol-5-yl)-2,3,3a,4,5,7a-hexahydroindole-1-carboxylate (3aS,7aR)-7-(1,3-benzodioxol-5-yl)-2,3,3a,4,5,7a-hexahydroindole-1-carboxylic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (3aS,7aR)-7-(1,3-benzodioxol-5-yl)-2,3,3a,4,5,7a-hexahydroindole-1-carboxylate [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (3aS,7aR)-7-(1,3-benzodioxol-5-yl)-2,3,3a,4,5,7a-hexahydroindole-1-carboxylate [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (3aS,7aR)-7-(1,3-benzodioxol-5-yl)-2,3,3a,4,5,7a-hexahydroindole-1-carboxylate
Wiley ID 1532692