[1.alpha.(R*),2.beta.,5.alpha.]-5-Methyl-2-(1'-methylethyl)cyclohexyl-[3aR,7aS]-7-(1',3'-benzodioxol-5'-yl)-2,3,3a,4,5,7a-hexahydro-1H-indole-1-carboxylate

SpectraBase Compound ID	BgOIHGD9GYn
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-USXPPMBISA-N Google Search
Mol Weight	425.6 g/mol
Molecular Formula	C26H35NO4
Exact Mass	425.256609 g/mol

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SpectraBase Spectrum ID	1p4esNzRWft
Name	[1.alpha.(R*),2.beta.,5.alpha.]-5-Methyl-2-(1'-methylethyl)cyclohexyl-[3aR,7aS]-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-USXPPMBISA-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	splash10-00di-0900000000-dae599ed86e4c787d538
Source of Spectrum	J-65-4250-32
Synonyms	(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl (3aR,7aS)-7-(1,3-benzodioxol-5-yl)-2,3,3a,4,5,7a-hexahydro-1H-indole-1-carboxylate (3aR,7aS)-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] (3aR,7aS)-7-(1,3-benzodioxol-5-yl)-2,3,3a,4,5,7a-hexahydroindole-1-carboxylate [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (3aR,7aS)-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] (3aR,7aS)-7-(1,3-benzodioxol-5-yl)-2,3,3a,4,5,7a-hexahydroindole-1-carboxylate
Wiley ID	1532691