tert-Butyl (3aR,4S,7aR)-4-hydroxy-4-(m-tolylethynyl)octahydro-1H-indole-1-carboxylate, 98%

cas: 543910-55-0 — see every product listed under this CAS number, including other names

tert-Butyl (3aR,4S,7aR)-4-hydroxy-4-(m-tolylethynyl)octahydro-1H-indole-1-carboxylate, 98% (CAS 543910-55-0) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberACFSEH871
cas543910-55-0
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purity98%
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Structural formula: {0} (CAS {1})

Tert-butyl (3aR,4S,7aR)-4-hydroxy-4-[2-(3-methylphenyl)ethynyl]-3,3a,5,6,7,7a-hexahydro-2H-indole-1-carboxylate (CAS 543910-55-0) is a chemical compound with the molecular formula C22H29NO3 and a molecular weight of 355.5 g/mol. IUPAC name: tert-butyl (3aR,4S,7aR)-4-hydroxy-4-[2-(3-methylphenyl)ethynyl]-3,3a,5,6,7,7a-hexahydro-2H-indole-1-carboxylate. InChIKey: ZAPZZFRGOMWRCG-WOIUINJBSA-N.

Identity
Molecular formulaC22H29NO3
Molecular weight355.5 g/mol
IUPAC nametert-butyl (3aR,4S,7aR)-4-hydroxy-4-[2-(3-methylphenyl)ethynyl]-3,3a,5,6,7,7a-hexahydro-2H-indole-1-carboxylate
InChIKeyZAPZZFRGOMWRCG-WOIUINJBSA-N
SMILESCC1=CC(=CC=C1)C#C[C@@]2(CCC[C@@H]3[C@H]2CCN3C(=O)OC(C)(C)C)O

Computed by PubChem (NCBI)

Synonyms: ZAPZZFRGOMWRCG-WOIUINJBSA-N
Isomers (same molecular formula)
2-[(8S,13S,14S,17R)-17-hydroxy-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]acetonitrile C22H29NO3
2-(dimethylamino)ethyl 2-butoxy-2,2-diphenylacetate C22H29NO3
3-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-hydroxybenzoic acid C22H29NO3
4-[2-[[2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)ethyl]amino]ethyl]phenol C22H29NO3
(1R,9S,10S)-17-(cyclobutylmethyl)-10-hydroxy-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one C22H29NO3
1-[3-[[3,5-dihydroxy-4-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]phenyl]methyl]azetidin-1-yl]ethanone C22H29NO3
(3R,5R)-5-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidin-3-ol C22H29NO3
(1R,9R,10S)-17-(cyclopropylmethyl)-3,10-dimethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one C22H29NO3
(2E,4E,10E)-11-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)undeca-2,4,10-trienamide C22H29NO3
(1R,2S,3R,5R,6S,10S,16R,17R)-2,6-dimethyl-20-oxo-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-13(19)-ene-17-carboxylic acid C22H29NO3
11-ethyl-19-hydroxy-5-methyl-18-methylidene-9-oxa-11-azaheptacyclo[15.2.1.01,14.02,12.04,13.05,10.08,13]icosan-16-one C22H29NO3
(1R,2S,5R,8R,9R,13R,16S,17R)-11-ethyl-16-hydroxy-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecane-4,7-dione C22H29NO3