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DEHYDROHELIOTRINE

DEHYDROHELIOTRINE structure

DEHYDROHELIOTRINE 

structure
  • CAS No:

    23107-11-1

  • Formula:

    C16H25NO5

  • Chemical Name:

    DEHYDROHELIOTRINE

  • Synonyms:

    Dehydroheliotrine;3,8-Didehydroheliotrine;HELIOTRINE, 3,8-DIDEHYDRO-;Butanoic acid, 2-hydroxy-2-(1-methoxyethyl)-3-methyl-, (2,3-dihydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, (1S-(1-alpha,7(R*(S*))))-;DTXSID20945782;LS-47158;(1-Hydroxy-2,3-dihydro-1H-pyrrolizin-7-yl)methyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate

DEHYDROHELIOTRINE Basic Attributes

311.378

311.173

Characteristics

80.9

0.4

1.0986 (rough estimate)

451.42°C (rough estimate)

251.1ºC

1.553

1.77E-10mmHg at 25°C

Computed Properties

Molecular Weight:311.37
XLogP3:0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:311.17327290
Monoisotopic Mass:311.17327290
Topological Polar Surface Area:80.9
Heavy Atom Count:22
Complexity:402
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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