(1R,3R,Z)-5-((E)-2-((1S,3aS,7aS)-1-((S)-1-(3-Hydroxy-3-methylbutoxy)ethyl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol, 97%

cas: 169218-34-2 — see every product listed under this CAS number, including other names

(1R,3R,Z)-5-((E)-2-((1S,3aS,7aS)-1-((S)-1-(3-Hydroxy-3-methylbutoxy)ethyl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol, 97% (CAS 169218-34-2) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

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Structural formula: {0} (CAS {1})

(5E)-5-[(2E)-2-[1-[1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol (CAS 169218-34-2) is a chemical compound with the molecular formula C26H42O4 and a molecular weight of 418.6 g/mol. IUPAC name: (5E)-5-[(2E)-2-[1-[1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol. InChIKey: DTXXSJZBSTYZKE-PQEHHWQQSA-N.

Identity
Molecular formulaC26H42O4
Molecular weight418.6 g/mol
IUPAC name(5E)-5-[(2E)-2-[1-[1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
InChIKeyDTXXSJZBSTYZKE-PQEHHWQQSA-N
SMILESCC(C1CCC\2C1(CCC/C2=C\C=C\3/CC(CC(C3=C)O)O)C)OCCC(C)(C)O

Computed by PubChem (NCBI)

Synonyms: 1beta-maxacalcitol
Related forms of this compound
cis-(1S,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol C26H42O4
trans-(1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol C26H42O4
trans-(1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(1R)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol C26H42O4
trans-(1R,3S,5E)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol C26H42O4
trans-(1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-7a-methyl-1-[(1S)-1-[4,4,4-trideuterio-3-hydroxy-3-(trideuteriomethyl)butoxy]ethyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol C26H42O4
Isomers (same molecular formula)
dinonyl benzene-1,2-dicarboxylate C26H42O4
bis(7-methyloctyl) 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate C26H42O4
(4R)-4-[(3R,5S,6R,8S,9S,10S,13R,14S,17R)-6-ethyl-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid C26H42O4
bis(7-methyloctyl) benzene-1,2-dicarboxylate C26H42O4
(4R)-4-[(3R,5S,6S,8S,9S,10S,13R,14S,17R)-6-ethyl-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid C26H42O4
(4R)-4-[(3R,5R,6Z,7S,8S,9S,10R,13R,14S,17R)-6-ethylidene-3,7-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid C26H42O4
(4R)-4-[(3R,5R,6Z,7S,8S,9S,10R,13R,14S,17R)-6-ethylidene-3,7-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid C26H42O4

Also listed as

Maxacalcitol Impurity 6 Hubei YoungXin CAS 169218-34-2