Calcitetrol

cas: 72203-93-1 — see every product listed under this CAS number, including other names

Calcitetrol (CAS 72203-93-1) is a chemical reagent available from Chemat. Available pack sizes: 5mg. Offered by: TRC.

brandTRC
catalog numberTRC-C790310-5MG
cas72203-93-1
size5mg
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Structural formula: {0} (CAS {1})

Trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-5,6-dihydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol (CAS 72203-93-1) is a chemical compound with the molecular formula C27H44O4 and a molecular weight of 432.6 g/mol. IUPAC name: trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-5,6-dihydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol. InChIKey: WFZKUWGUJVKMHC-QPGHTDHKSA-N.

Identity
Molecular formulaC27H44O4
Molecular weight432.6 g/mol
IUPAC nametrans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-5,6-dihydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
InChIKeyWFZKUWGUJVKMHC-QPGHTDHKSA-N
SMILESC[C@H](CCC(C(C)(C)O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C

Computed by PubChem (NCBI)

Synonyms: orb1706249, (1S,3R,5Z,7E)-9,10-Secocholesta-5,7,10-triene-1,3,24,25-tetrol, (3beta,5Z,7E)-9,10-Secocholesta-5,7,10(19)-triene-1,3,24,25-tetrol
Related forms of this compound
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol C27H44O4
Isomers (same molecular formula)
(E,6R)-6-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid C27H44O4
(6R)-6-[(3S,7S,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid C27H44O4
(3aR,6R)-6-(2-carboxyethyl)-3a,6-dimethyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,5,5a,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-7-carboxylic acid C27H44O4
1-O-(8-methylnonyl) 2-O-(7-methyloctyl) benzene-1,2-dicarboxylate C27H44O4

Also listed as

Calcitetrol, 99.86%, 99.86% Chemat CAS 72203-93-1
Calcitetrol, 99.94% MedChemExpress CAS 72203-93-1