Products 93129-94-3

CAS 93129-94-3 appears in our catalog under these names: Tacalcitol Monohydrate, >95% (HPLC), Tacalcitol monohydrate/ 99.93% (existing batch purity), Tacalcitol (monohydrate), 99.85%. Offered by: TRC, TargetMol, MedChemExpress. Available pack sizes: 1mg, 25mg, 5mg, 10mg, 50mg, 10 mg, 1 mg, 5 mg.

Tacalcitol Monohydrate, >95% (HPLC)
TRC
  • size: 1mg, 25mg, 5mg
  • Variants: 3
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Tacalcitol monohydrate/ 99.93% (existing batch purity)
TargetMol
  • size: 1mg, 5mg, 10mg, 25mg
  • Variants: 5
from 910.49
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Tacalcitol (monohydrate), 99.85%
MedChemExpress
  • size: 10 mg, 1 mg, 5 mg
  • Variants: 3
from 793.38
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Trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;hydrate (CAS 93129-94-3) is a chemical compound with the molecular formula C27H46O4 and a molecular weight of 434.7 g/mol. IUPAC name: trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;hydrate. InChIKey: UCLYOJXQGOXQKJ-XXBHHXRKSA-N.

Identity
Molecular formulaC27H46O4
Molecular weight434.7 g/mol
IUPAC nametrans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;hydrate
InChIKeyUCLYOJXQGOXQKJ-XXBHHXRKSA-N
SMILESC[C@H](CC[C@H](C(C)C)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.O

Computed by PubChem (NCBI)

Synonyms: TACALCITOL MONOHYDRATE, Tacalcitol hydrate, Bonalfa high (TN), TACALCITOL HYDRATE [JAN], TACALCITOL MONOHYDRATE [WHO-DD], TACALCITOL MONOHYDRATE [EP MONOGRAPH], TACALCITOL MONOHYDRATE (EP MONOGRAPH), Bonalfa high, Tacalcitol hydrate (JP17), (1S,3R,5Z,7E,24R)-9,10-Secocholesta-5,7,10(19)-triene-1,3,24-triol monohydrate
Isomers (same molecular formula)
(2R,6R)-6-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-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-methylheptanoic acid C27H46O4
methyl (4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-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]pentanoate C27H46O4
(6R)-6-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-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-methylheptanoic acid C27H46O4
(6R)-6-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-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-(trideuteriomethyl)heptanoic acid C27H46O4
(2S,6R)-6-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-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-methylheptanoic acid C27H46O4
(3S,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R)-3,4-dihydroxy-6-methylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one C27H46O4