Calcitroic Acid

cas: 71204-89-2 — see every product listed under this CAS number, including other names

Calcitroic Acid (CAS 71204-89-2) is a chemical reagent available from Chemat. Available pack sizes: on request, 10mg, 1mg, 5mg. Offered by: Chemat Brand, TRC, Biosynth.

brandChemat Brand
catalog numberRM-V307795
cas71204-89-2
sizeon request
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properties

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Structural formula: {0} (CAS {1})

Calcitroic acid is a hydroxycalciol that is calcidiol in which the pro-S hydrogen of calcidiol is replaced by a hydroxy group and the C-23/C-27 unit is replaced by a carboxy group. It is a conjugate acid of a calcitroate.

Source: ChEBI

Identity
Molecular formulaC23H34O4
Molecular weight374.5 g/mol
IUPAC name(3R)-3-[(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]butanoic acid
InChIKeyMBLYZRMZFUWLOZ-ZTIKAOTBSA-N
SMILESC[C@H](CC(=O)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

Computed by PubChem (NCBI)

Synonyms: Calcitroic acid, 1alpha-Hydroxy-23-carboxytetranorvitamin D, 1alpha-hydroxy-24,25,26,27-tetranorvitamin D3 23-carboxylic acid, 1alpha,3beta-Dihydroxy-24-nor-9,10-seco-5,7,10(19)-cholatrien-23-oic acid, (1S,3R,5Z,7E)-1,3-dihydroxy-24-nor-9,10-secochola-5,7,10(19)-trien-23-oic acid, 1 alpha-hydroxy-23-carboxytetranorvitamin D, 1 alpha,3 beta-dihydroxy-24-nor-9,10-seco-5,7,10(19)-cholatrien-23-oic acid, Calcitroic Acid (>85%), orb2943119, 1alpha,3beta-dihydroxy-9,10-seco-24-nor-5,7,10(19)-cholatrien-23-oic acid
Isomers (same molecular formula)
3-[(3R,5S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one C23H34O4
3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one C23H34O4
(3aS,9aS,9bS)-3a-methyl-6-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]-1,2,4,5,8,9,9a,9b-octahydrocyclopenta[a]naphthalene-3,7-dione C23H34O4
[(1R)-1-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] acetate C23H34O4
[(8R,9S,10R,13S,14S,17R)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate C23H34O4
(1R,2S,4R,6S,7S,10S,11R,14S)-7,11-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-ol C23H34O4
10-ethoxy-6,6,9-trimethyl-3-pentyl-8,10-dihydro-7H-benzo[c]chromene-1,9-diol C23H34O4
[(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate C23H34O4
[(3S,8R,9S,10R,13S,14S,17S)-17-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate C23H34O4
[2-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C23H34O4

Also listed as

Calcitriol Impurity 16 Hubei YoungXin CAS 71204-89-2
Calcitroic acid, 85.0% MedChemExpress CAS 71204-89-2