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(8E,10E)-14-(2,3-dihydroxy-4-methyloxan-2-yl)-28-hydroxy-35-(hydroxymethyl)-5,7,9,19,29-pentamethyl-13,17,38,39,40,41,42,43-octaoxaoctacyclo[31.4.1.11,35.12,5.120,24.124,27.129,32.012,16]tritetraconta-8,10-diene-18,31-dione

Base Information
  • Chemical Name:(8E,10E)-14-(2,3-dihydroxy-4-methyloxan-2-yl)-28-hydroxy-35-(hydroxymethyl)-5,7,9,19,29-pentamethyl-13,17,38,39,40,41,42,43-octaoxaoctacyclo[31.4.1.11,35.12,5.120,24.124,27.129,32.012,16]tritetraconta-8,10-diene-18,31-dione
  • CAS No.:97564-90-4
  • Molecular Formula:C47H70 O15
  • Molecular Weight:875.055
  • Hs Code.:
  • Mol file:97564-90-4.mol
(8E,10E)-14-(2,3-dihydroxy-4-methyloxan-2-yl)-28-hydroxy-35-(hydroxymethyl)-5,7,9,19,29-pentamethyl-13,17,38,39,40,41,42,43-octaoxaoctacyclo[31.4.1.11,35.12,5.120,24.124,27.129,32.012,16]tritetraconta-8,10-diene-18,31-dione

Synonyms:pectenotoxin 1;pectenotoxin-1;PTX1

Suppliers and Price of (8E,10E)-14-(2,3-dihydroxy-4-methyloxan-2-yl)-28-hydroxy-35-(hydroxymethyl)-5,7,9,19,29-pentamethyl-13,17,38,39,40,41,42,43-octaoxaoctacyclo[31.4.1.11,35.12,5.120,24.124,27.129,32.012,16]tritetraconta-8,10-diene-18,31-dione
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Chemical Property of (8E,10E)-14-(2,3-dihydroxy-4-methyloxan-2-yl)-28-hydroxy-35-(hydroxymethyl)-5,7,9,19,29-pentamethyl-13,17,38,39,40,41,42,43-octaoxaoctacyclo[31.4.1.11,35.12,5.120,24.124,27.129,32.012,16]tritetraconta-8,10-diene-18,31-dione
Chemical Property:
  • Boiling Point:°Cat760mmHg 
  • Flash Point:°C 
  • PSA:198.13000 
  • Density:1.33g/cm3 
  • LogP:4.22640 
  • XLogP3:2.8
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:15
  • Rotatable Bond Count:2
  • Exact Mass:874.47147152
  • Heavy Atom Count:62
  • Complexity:1770
Purity/Quality:
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CC1CCOC(C1O)(C2CC3C(O2)C=CC(=CC(CC4(CCC(O4)C56CCC(O5)(CC(O6)C7C(=O)CC(O7)(C(C8CCC9(O8)CCCC(O9)C(C(=O)O3)C)O)C)CO)C)C)C)O
  • Isomeric SMILES:CC1CCOC(C1O)(C2CC3C(O2)/C=C/C(=C/C(CC4(CCC(O4)C56CCC(O5)(CC(O6)C7C(=O)CC(O7)(C(C8CCC9(O8)CCCC(O9)C(C(=O)O3)C)O)C)CO)C)C)/C)O
  • Uses Pectenotoxin 1 is a marine phycotoxin which acts as a cytotoxic agent.
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