MC 976

cas: 129831-99-8 — see every product listed under this CAS number, including other names

MC 976 (CAS 129831-99-8) is a chemical reagent available from Chemat. Available pack sizes: 25mg, 1mg, Get quote. Offered by: TRC, Biosynth, MedChemExpress.

brandTRC
catalog numberTRC-B598580-25MG
cas129831-99-8
size25mg
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Structural formula: {0} (CAS {1})

Trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,7aR)-1-[(2R)-5-cyclopropyl-5-hydroxypentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol (CAS 129831-99-8) is a chemical compound with the molecular formula C27H42O3 and a molecular weight of 414.6 g/mol. IUPAC name: trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,7aR)-1-[(2R)-5-cyclopropyl-5-hydroxypentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol. InChIKey: NQHWMFGCRBTMOO-KJLYFKKZSA-N.

Identity
Molecular formulaC27H42O3
Molecular weight414.6 g/mol
IUPAC nametrans-(1R,3S,5Z)-5-[(2E)-2-[(1R,7aR)-1-[(2R)-5-cyclopropyl-5-hydroxypentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
InChIKeyNQHWMFGCRBTMOO-KJLYFKKZSA-N
SMILESC[C@H](CCC(C1CC1)O)[C@H]2CCC\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C

Computed by PubChem (NCBI)

Synonyms: (1S,3R,5Z,7E,14xi)-26,27-Cyclo-9,10-secocholesta-5,7,10-triene-1,3,24-triol
Related forms of this compound
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-5-cyclopropyl-5-hydroxypentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol C27H42O3
Isomers (same molecular formula)
(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-ol C27H42O3
(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-ol C27H42O3
[(1S,4S,5S)-4-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol C27H42O3
[(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] nonanoate C27H42O3
[(1R,4R,5R)-4-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol C27H42O3
(3Z,5R)-3-[[(1R,2'R,3aR,4R,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]spiro[2,3,3a,5,6,7-hexahydro-1H-indene-4,3'-oxirane]-2'-yl]methylidene]-5-hydroxy-2-methylidenecyclohexan-1-one C27H42O3

Also listed as

Calcipotriol Impurity 57 Chemat Brand CAS 129831-99-8
Calcipotriol Impurity 3 (Mixture of Diastereomers) Chemat Brand CAS 129831-99-8