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(6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-1,2,4-triol

Base Information
  • Chemical Name:(6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-1,2,4-triol
  • CAS No.:81515-15-3
  • Molecular Formula:C27H44O4
  • Molecular Weight:0
  • Hs Code.:
  • Mol file:81515-15-3.mol
(6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-1,2,4-triol

Synonyms:23,25,26-trihydroxycholecalciferol;23,25,26-trihydroxyvitamin D3

Suppliers and Price of (6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-1,2,4-triol
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The product has achieved commercial mass production*data from LookChem market partment
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Chemical Property of (6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-1,2,4-triol
Chemical Property:
  • Vapor Pressure:1E-17mmHg at 25°C 
  • Boiling Point:615.5°C at 760 mmHg 
  • Flash Point:262.4°C 
  • PSA:80.92000 
  • Density:1.11g/cm3 
  • LogP:4.67710 
  • XLogP3:4
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:4
  • Rotatable Bond Count:7
  • Exact Mass:432.32395988
  • Heavy Atom Count:31
  • Complexity:710
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CC(CC(CC(C)(CO)O)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
  • Isomeric SMILES:C[C@H](CC(CC(C)(CO)O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C
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