trans-Eldecalcitol

cas: 861996-34-1 — see every product listed under this CAS number, including other names

trans-Eldecalcitol (CAS 861996-34-1) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-E120402
cas861996-34-1
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Structural formula: {0} (CAS {1})

5-[2-[1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-(3-hydroxypropoxy)-4-methylidenecyclohexane-1,3-diol (CAS 861996-34-1) is a chemical compound with the molecular formula C30H50O5 and a molecular weight of 490.7 g/mol. IUPAC name: 5-[2-[1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-(3-hydroxypropoxy)-4-methylidenecyclohexane-1,3-diol. InChIKey: FZEXGDDBXLBRTD-UHFFFAOYSA-N.

Identity
Molecular formulaC30H50O5
Molecular weight490.7 g/mol
IUPAC name5-[2-[1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-(3-hydroxypropoxy)-4-methylidenecyclohexane-1,3-diol
InChIKeyFZEXGDDBXLBRTD-UHFFFAOYSA-N
SMILESCC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(C(C(C3=C)O)OCCCO)O)C

Computed by PubChem (NCBI)

Synonyms: trans-Eldecalcitol, 2|A-trans-eldecalcitol
Related forms of this compound
(1R,2R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-(3-hydroxypropoxy)-4-methylidenecyclohexane-1,3-diol C30H50O5
(1R,2R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-(3-hydroxypropoxy)-4-methylidenecyclohexane-1,3-diol C30H50O5
Isomers (same molecular formula)
1-(3-dodecanoyl-2,4,6-trihydroxyphenyl)dodecan-1-one C30H50O5
(1R,2R,4aR,6aR,6aS,6bR,8aR,10R,11R,12aR,14bR)-9,9-bis(hydroxymethyl)-1,2,4a,6a,6b,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-1,10,11-triol C30H50O5
(1R,2R,3R)-5-[(Z)-2-[(1R,3aR,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-2-(3-hydroxypropoxy)-4-methylcyclohex-4-ene-1,3-diol C30H50O5
(1R,2R,3R)-5-[(Z)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-2-(3-hydroxypropoxy)-4-methylcyclohex-4-ene-1,3-diol C30H50O5
(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-15-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,9,14-triol C30H50O5

Also listed as

Eldecalcitol Impurity 1 Hubei YoungXin CAS 861996-34-1