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Technology Process of (1S)-5-[(Z)-2-[(1R,3aR,7aS)-2-ethyl-1-[(5S)-5-hydroxyheptyl]-4,7a-dimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-yl]ethenyl]-4-methylcyclohexa-2,4-dien-1-ol

(1S)-5-[(Z)-2-[(1R,3aR,7aS)-2-ethyl-1-[(5S)-5-hydroxyheptyl]-4,7a-dimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-yl]ethenyl]-4-methylcyclohexa-2,4-dien-1-ol

Base Information
  • Chemical Name:(1S)-5-[(Z)-2-[(1R,3aR,7aS)-2-ethyl-1-[(5S)-5-hydroxyheptyl]-4,7a-dimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-yl]ethenyl]-4-methylcyclohexa-2,4-dien-1-ol
  • CAS No.:116925-40-7
  • Molecular Formula:C29H48 O2
  • Molecular Weight:428.69
  • Hs Code.:
  • Mol file:116925-40-7.mol
(1S)-5-[(Z)-2-[(1R,3aR,7aS)-2-ethyl-1-[(5S)-5-hydroxyheptyl]-4,7a-dimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-yl]ethenyl]-4-methylcyclohexa-2,4-dien-1-ol

Synonyms:25-hydroxy-26,27-dimethylcholecalciferol;25-hydroxy-26,27-dimethylvitamin D3;26,27-dimethylcalcifediol

Suppliers and Price of (1S)-5-[(Z)-2-[(1R,3aR,7aS)-2-ethyl-1-[(5S)-5-hydroxyheptyl]-4,7a-dimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-yl]ethenyl]-4-methylcyclohexa-2,4-dien-1-ol
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The product has achieved commercial mass production*data from LookChem market partment
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Chemical Property of (1S)-5-[(Z)-2-[(1R,3aR,7aS)-2-ethyl-1-[(5S)-5-hydroxyheptyl]-4,7a-dimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-yl]ethenyl]-4-methylcyclohexa-2,4-dien-1-ol
Chemical Property:
  • Vapor Pressure:5.43E-14mmHg at 25°C 
  • Boiling Point:541.7°Cat760mmHg 
  • Flash Point:221.2°C 
  • PSA：40.46000 
  • Density:1.023g/cm3 
  • LogP:7.37000 
  • XLogP3:8.1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Rotatable Bond Count:9
  • Exact Mass:428.365430770
  • Heavy Atom Count:31
  • Complexity:689
Purity/Quality:
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CCC1CC2C(CCCC2(C1CCCCC(CC)O)C)(C)C=CC3=C(C=CC(C3)O)C
  • Isomeric SMILES:CCC1C[C@H]2[C@]([C@@H]1CCCC[C@H](CC)O)(CCCC2(C)/C=C\C3=C(C=C[C@H](C3)O)C)C
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