MC 1046

cas: 126860-83-1 — see every product listed under this CAS number, including other names

MC 1046 (CAS 126860-83-1) is a chemical reagent available from Chemat. Available pack sizes: 1mg. Offered by: GLPBio.

brandGLPBio
catalog numberGC16982-1
cas126860-83-1
size1mg
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Available pack sizes

brand size price
GLPBio 1mg 2520.73 Pln

properties

purityNo data
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

(E,4R)-4-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-cyclopropylpent-2-en-1-one (CAS 126860-83-1) is a chemical compound with the molecular formula C27H38O3 and a molecular weight of 410.6 g/mol. IUPAC name: (E,4R)-4-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-cyclopropylpent-2-en-1-one. InChIKey: KKDBQSPKXAUHPH-NRCQPIEOSA-N.

Identity
Molecular formulaC27H38O3
Molecular weight410.6 g/mol
IUPAC name(E,4R)-4-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-cyclopropylpent-2-en-1-one
InChIKeyKKDBQSPKXAUHPH-NRCQPIEOSA-N
SMILESC[C@H](/C=C/C(=O)C1CC1)[C@H]2CC[C@@H]\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: Calcipotriol, anhydrous impurity A [EP], Calcipotriol EP Impurity A, Calcipotriol, anhydrous specified impurity A [EP], CALCIPOTRIOL IMPURITY A [EP IMPURITY], CALCIPOTRIENE IMPURITY A [USP IMPURITY], CALCIPOTRIOL MONOHYDRATE IMPURITY A [EP IMPURITY], (22E)-1alpha-hydroxy-24-oxo-26,27-cyclo-22,23-didehydrocholecalciferol, (22E)-1alpha-hydroxy-24-oxo-26,27-cyclo-22,23-didehydrovitamin D3
Isomers (same molecular formula)
[(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate C27H38O3
[(8S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 3-cyclopentylpropanoate C27H38O3
[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 3-cyclopentylpropanoate C27H38O3

Also listed as

Calcipotriol EP Impurity A Chemat Brand CAS 126860-83-1
(1Alpha,3Beta,5Z,7E,22E)-24-Cyclopropyl-1,3-dihydroxy-9,10-Secochola-5,7,10(19),22-tetraen-24-one (90%) TRC CAS 126860-83-1
MC 1046, 94.29% MedChemExpress CAS 126860-83-1
MC 1046, 95% Fluorochem CAS 126860-83-1