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Unii-bay5Z5MC9Z

Base Information
  • Chemical Name:Unii-bay5Z5MC9Z
  • CAS No.:2777-79-9
  • Molecular Formula:C29H45 N O8
  • Molecular Weight:535.67
  • Hs Code.:
  • Wikipedia:Zygacine
Unii-bay5Z5MC9Z

Synonyms:Zygacine;UNII-BAY5Z5MC9Z;BAY5Z5MC9Z;Cevane-3beta,4beta,14,15alpha,16beta,20-hexol, 4,9-epoxy-, 3-acetate;2777-79-9;C29H45NO8;C29-H45-N-O8;SCHEMBL14052760;Cevane-3.beta.,4.beta.,14,15.alpha.,16.beta.,20-hexol, 4,9-epoxy-, 3-acetate;Cevane-3,4,14,15,16,20-hexol, 4,9-epoxy-, 3-acetate, (3.beta.,4.alpha.,15.alpha.,16.beta.)-

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Chemical Property of Unii-bay5Z5MC9Z
Chemical Property:
  • Vapor Pressure:0mmHg at 25°C 
  • Boiling Point:655.9°Cat760mmHg 
  • Flash Point:350.5°C 
  • PSA:139.92000 
  • Density:1.4g/cm3 
  • LogP:0.72380 
  • XLogP3:0.5
  • Hydrogen Bond Donor Count:5
  • Hydrogen Bond Acceptor Count:9
  • Rotatable Bond Count:2
  • Exact Mass:535.31451739
  • Heavy Atom Count:38
  • Complexity:1040
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CC1CCC2C(C3C(CN2C1)C4CC56C(C4(C(C3O)O)O)CCC7C5(CCC(C7(O6)O)OC(=O)C)C)(C)O
  • Isomeric SMILES:C[C@H]1CC[C@H]2[C@@]([C@@H]3[C@@H](CN2C1)C4CC56C(C4(C(C3O)O)O)CCC7[C@@]5(CCC(C7(O6)O)OC(=O)C)C)(C)O
  • Description An amorphous, steroidal alkaloid isolated from Zygadenus venenosum, this base has [α]23/sup>D - 22° (c 1.53, CHC13). The acetonide forms colourless needles from aqueous Me2CO, m.p. 253-5°C (dec.); [α]23/sup>D + 2° (c 1.41, CHCl3), giving a crystalline hydriodide as colourless plates from Me2CO, m.p. 270-1 ° C(dec. ).
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