Calcipotriol Impurity C, 98%

cas: 113082-99-8 — see every product listed under this CAS number, including other names

Calcipotriol Impurity C, 98% (CAS 113082-99-8) is a chemical reagent available from Chemat. Available pack sizes: 5mg, 50mg, 10mg, 1mg. Offered by: AmBeed, Fluorochem.

brandAmBeed
catalog numberA861046-5mg
cas113082-99-8
size5mg
availability Synthetic Items: 0g
Documents: Safety Data Sheet (MSDS)
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Available pack sizes

brand size price
AmBeed 5mg 8637.16 Pln
AmBeed 50mg 35614.60 Pln
AmBeed 10mg 15173.20 Pln
Fluorochem 1mg 1606.74 Pln
Fluorochem 5mg 4673.37 Pln
Fluorochem 10mg 8041.98 Pln
Fluorochem 50mg 22411.92 Pln

properties

purity98%
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

Trans-(1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol (CAS 113082-99-8) is a chemical compound with the molecular formula C27H40O3 and a molecular weight of 412.6 g/mol. IUPAC name: trans-(1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol. InChIKey: LWQQLNNNIPYSNX-GMGGYIQASA-N.

Identity
Molecular formulaC27H40O3
Molecular weight412.6 g/mol
IUPAC nametrans-(1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
InChIKeyLWQQLNNNIPYSNX-GMGGYIQASA-N
SMILESC[C@H](/C=C/[C@H](C1CC1)O)[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: (5E)-Calcipotriol, (5E)-Calcipotriene, 5,6-trans-Calcipotriol, Calcipotriol, (5E)-, Calcipotriol, anhydrous impurity C [EP], Calcipotriol, anhydrous specified impurity C [EP], CALCIPOTRIOL IMPURITY C [EP IMPURITY], CALCIPOTRIOL IMPURITY C (EP IMPURITY), Calcipotriol, anhydrous impurity C, Calcipotriol, anhydrous specified impurity C
Related forms of this compound
trans-(1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol C27H40O3
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol C27H40O3
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol C27H40O3
cis-(1R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol C27H40O3
Isomers (same molecular formula)
(4R)-4-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-cyclopropylpentan-1-one C27H40O3
(1R,3S)-5-[(Z)-2-[(1R,3aR,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-4-ene-1,3-diol C27H40O3
[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 3-cyclopentylpropanoate C27H40O3
[(8R,9S,10R,13S,14S,17S)-16,16,17-trideuterio-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl] 3-cyclopentylpropanoate C27H40O3
[(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] 3-cyclohexylpropanoate C27H40O3

Also listed as

Calcipotriol EP Impurity C ((5E)-Calcipotriene) Chemat Brand CAS 113082-99-8
Calcipotriol EP Impurity C Chemat Brand CAS 113082-99-8
(5E)-Calcipotriene, >95% (HPLC) TRC CAS 113082-99-8
(5E)-Calcipotriene Biosynth CAS 113082-99-8
Calcipotriol Impurity C (Standard) MedChemExpress CAS 113082-99-8
Calcipotriol Impurity C, 99.20% MedChemExpress CAS 113082-99-8