Cas no 73376-38-2 ((6E,7R,8R,8aS)-8-methyl-6-[(2R)-2-methylhexylidene]octahydroindolizine-7,8-diol)

(6E,7R,8R,8aS)-8-methyl-6-[(2R)-2-methylhexylidene]octahydroindolizine-7,8-diol structure
73376-38-2 structure
Product Name:(6E,7R,8R,8aS)-8-methyl-6-[(2R)-2-methylhexylidene]octahydroindolizine-7,8-diol
CAS No:73376-38-2
MF:C16H29NO2
MW:267.406965017319
CID:1760571
PubChem ID:5470308
Update Time:2025-04-21

(6E,7R,8R,8aS)-8-methyl-6-[(2R)-2-methylhexylidene]octahydroindolizine-7,8-diol Chemical and Physical Properties

Names and Identifiers

    • (6E,7R,8R,8aS)-8-methyl-6-[(2R)-2-methylhexylidene]octahydroindolizine-7,8-diol
    • 7,8-Indolizinediol, octahydro-8-methyl-6-((2R)-2-methylhexylidene)-, (6E,7R,8R,8aS)-
    • (+)-Allopumiliotoxin 267A
    • DTXSID301027204
    • (6E,7R,8R,8aS)-8-methyl-6-[(2R)-2-methylhexylidene]-1,2,3,5,7,8a-hexahydroindolizine-7,8-diol
    • 267A
    • ALLO-PTX 267A
    • CHEMBL2002405
    • Q530596
    • (6E,7R,8R,8AS)-OCTAHYDRO-8-METHYL-6-((2R)-2-METHYLHEXYLIDENE)-7,8-INDOLIZINEDIOL
    • DENDROBATES ALKALOID 267A
    • 73376-38-2
    • NSC-699383
    • CHEBI:182171
    • TEP57TLJ38
    • NSC699383
    • C20034
    • UNII-TEP57TLJ38
    • allo-pumiliotoxin 267A
    • Allopumiliotoxin 267a
    • APTX 267A
    • Inchi: 1S/C16H29NO2/c1-4-5-7-12(2)10-13-11-17-9-6-8-14(17)16(3,19)15(13)18/h10,12,14-15,18-19H,4-9,11H2,1-3H3/b13-10-
    • InChI Key: LWXKAVPXEDNHLL-RAXLEYEMSA-N
    • SMILES: CCCCC(/C=C1\C(O)C(O)(C)C2N(CCC2)C\1)C

Computed Properties

  • Exact Mass: 267.219829168g/mol
  • Monoisotopic Mass: 267.219829168g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 342
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.2
  • Topological Polar Surface Area: 43.7?2
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