Cas no 91550-04-8 ((6E,7S,8R,8aS)-6-[(2R,4E,6R,7R)-6,7-dihydroxy-2,5-dimethyloct-4-en-1-ylidene]-8-methyloctahydroindolizine-7,8-diol)

(6E,7S,8R,8aS)-6-[(2R,4E,6R,7R)-6,7-dihydroxy-2,5-dimethyloct-4-en-1-ylidene]-8-methyloctahydroindolizine-7,8-diol structure
91550-04-8 structure
Product Name:(6E,7S,8R,8aS)-6-[(2R,4E,6R,7R)-6,7-dihydroxy-2,5-dimethyloct-4-en-1-ylidene]-8-methyloctahydroindolizine-7,8-diol
CAS No:91550-04-8
MF:C19H33NO4
MW:339.469626188278
CID:1965750
PubChem ID:6442501
Update Time:2025-04-21

(6E,7S,8R,8aS)-6-[(2R,4E,6R,7R)-6,7-dihydroxy-2,5-dimethyloct-4-en-1-ylidene]-8-methyloctahydroindolizine-7,8-diol Chemical and Physical Properties

Names and Identifiers

    • (6E,7S,8R,8aS)-6-[(2R,4E,6R,7R)-6,7-dihydroxy-2,5-dimethyloct-4-en-1-ylidene]-8-methyloctahydroindolizine-7,8-diol
    • 7,8-indolizinediol, 6-[(2R,4E,6R,7R)-6,7-dihydroxy-2,5-dimethyl-4-octen-1-ylidene]octahydro-8-methyl-, (6E,7S,8R,8aS)-
    • (6E,7S,8R,8aS)-6-[(E,2R,6R,7R)-6,7-dihydroxy-2,5-dimethyloct-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizine-7,8-diol
    • Isoallo-PTX 339B
    • CHEMBL422656
    • (+)-Allopumiliotoxin 339B
    • Alkaloid 339B from Dendrobates
    • 91550-04-8
    • Isoallopumiliotoxin 339B
    • Inchi： 1S/C19H33NO4/c1-12(7-8-13(2)17(22)14(3)21)10-15-11-20-9-5-6-16(20)19(4,24)18(15)23/h8,10,12,14,16-18,21-24H,5-7,9,11H2,1-4H3/b13-8-,15-10-
    • InChI Key： ROTIYIHXOAYCEN-BXCQWJFKSA-N
    • SMILES： CC(/C=C1\C(O)C(O)(C)C2N(CCC2)C\1)C/C=C(\C(C(O)C)O)/C

Computed Properties

  • Exact Mass: 339.240959
  • Monoisotopic Mass: 339.240959
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 5
  • Complexity: 504
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 84.2
  • XLogP3: 0.5

Experimental Properties

  • Density: 1.17
  • Boiling Point: 519.4°C at 760 mmHg
  • Flash Point: 266.1°C
  • Refractive Index: 1.571

(6E,7S,8R,8aS)-6-[(2R,4E,6R,7R)-6,7-dihydroxy-2,5-dimethyloct-4-en-1-ylidene]-8-methyloctahydroindolizine-7,8-diol Related Literature

Related Categories

91550-04-8 ((6E,7S,8R,8aS)-6-[(2R,4E,6R,7R)-6,7-dihydroxy-2,5-dimethyloct-4-en-1-ylidene]-8-methyloctahydroindolizine-7,8-diol) Related Products

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