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Gelsemiol

Gelsemiol structure

Gelsemiol 

structure
  • CAS No:

    110414-77-2

  • Formula:

    C10H16O4

  • Chemical Name:

    Gelsemiol

  • Synonyms:

    Gelsemiol;2H-Cyclopenta[b]furan-2-one,hexahydro-3,4-bis(hydroxymethyl)-5-methyl-, (3R,3aS,4R,5S,6aS)-

  • Categories:

    Natural Products  >  Iridoid Derivatives

Gelsemiol Basic Attributes

200.234

200.105

Characteristics

66.8

0.5

1.194±0.06 g/cm3(Predicted)

407.0±10.0 °C(Predicted)

Drug Information

gelsemiol

Computed Properties

Molecular Weight:200.23
XLogP3:0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:200.10485899
Monoisotopic Mass:200.10485899
Topological Polar Surface Area:66.8
Heavy Atom Count:14
Complexity:240
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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