Inecalcitol, 99+%

cas: 163217-09-2 — see every product listed under this CAS number, including other names

Inecalcitol, 99+% (CAS 163217-09-2) is a chemical reagent available from Chemat. Available pack sizes: 5g. Offered by: AmBeed.

brandAmBeed
catalog numberA571438-5g
cas163217-09-2
size5g
availability Synthetic Items: 0g
Documents: Safety Data Sheet (MSDS)
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Available pack sizes

brand size price
AmBeed 5g 2927.89 Pln

properties

purity99+%
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

Trans-(1R,3R)-5-[(2E)-2-[(1R,3aR,7aR)-1-[(2R)-6-hydroxy-6-methylhept-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol (CAS 163217-09-2) is a chemical compound with the molecular formula C26H40O3 and a molecular weight of 400.6 g/mol. IUPAC name: trans-(1R,3R)-5-[(2E)-2-[(1R,3aR,7aR)-1-[(2R)-6-hydroxy-6-methylhept-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol. InChIKey: HHGRMHMXKPQNGF-WNSNRMDMSA-N.

Identity
Molecular formulaC26H40O3
Molecular weight400.6 g/mol
IUPAC nametrans-(1R,3R)-5-[(2E)-2-[(1R,3aR,7aR)-1-[(2R)-6-hydroxy-6-methylhept-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
InChIKeyHHGRMHMXKPQNGF-WNSNRMDMSA-N
SMILESC[C@H](CC#CC(C)(C)O)[C@H]1CC[C@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C[C@@H](C3)O)O)C

Computed by PubChem (NCBI)

Synonyms: Inecalcitol, (7E)-19-Nor-9,10-seco-14beta-cholesta-5,7-dien-23-yne-1alpha,3beta,25-triol, (7E)-19-nor-9,10-seco-14bet-cholesta-5,7-dien-23-yne-, 1alpha, 3beta, 25-triol, INECALCITOLUM, Inecalcitol [INN], 19-Nor-14-epi-23-yne-1,25 dihydroxyvitamin D3, (7E)-(1R,3R,14R)-19-nor-23-yne-9,10-seco-5,7-cholestadiene-1,3,25-triol, orb1305513, 9,10-seco-14bh-19-norcholesta-5(z),7(e)-dien-1(r),3(r),25-triol-23-yne
Isomers (same molecular formula)
[(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] octanoate C26H40O3
[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] heptanoate C26H40O3
[(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] heptanoate C26H40O3
[(8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate C26H40O3
[(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] 6,6,7,7,7-pentadeuterioheptanoate C26H40O3

Also listed as

Inecalcitol Chemat Brand CAS 163217-09-2
Inecalcitol/ 99.77% (existing batch purity) TargetMol CAS 163217-09-2
Inecalcitol 99+% Ambeed CAS 163217-09-2
Inecalcitol, 98.11% MedChemExpress CAS 163217-09-2