(1R,3R,Z)-5-(2-((1S,3aS,7aS,E)-1-((S)-1-(3-hydroxy-3-methylbutoxy)ethyl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol

Catalog No. :
ACROIZ082
CAS No. :
169218-34-2
Molecular Formula :
C26H42O4
Molecular Weight :
418.62

IUPAC Name:(1R,3R,Z)-5-(2-((1S,3aS,7aS,E)-1-((S)-1-(3-hydroxy-3-methylbutoxy)ethyl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol

(1R,3R,Z)-5-(2-((1S,3aS,7aS,E)-1-((S)-1-(3-hydroxy-3-methylbutoxy)ethyl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol structure diagram
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Product Information

Product Name(1R,3R,Z)-5-(2-((1S,3aS,7aS,E)-1-((S)-1-(3-hydroxy-3-methylbutoxy)ethyl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol
IUPAC Name(1R,3R,Z)-5-(2-((1S,3aS,7aS,E)-1-((S)-1-(3-hydroxy-3-methylbutoxy)ethyl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol
Molecular FormulaC26H42O4
Molecular Weight418.62
SMILESC=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)OCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@H]1O
InChI KeyDTXXSJZBSTYZKE-MPEABVJYSA-N
Synonym1β-maxacalcitol;Maxacalcitol Impurity 6;1,3-Cyclohexanediol, 4-methylene-5-[(2E)-[(1S,3aS,7aS)-octahydro-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,3R,5Z)-;Maxacalcitol Impurity 1
CAS No.169218-34-2

Synthetic Route by SureRoute

1. ACROIZ082 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACROIZ082 route product structure diagram
    ACROIZ082169218-34-2
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2. ACROIZ082 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACROIZ082 route product structure diagram
    ACROIZ082169218-34-2
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