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Oxypaeoniflorin

Oxypaeoniflorin structure

Oxypaeoniflorin 

structure
  • CAS No:

    39011-91-1

  • Formula:

    C23H28O12

  • Chemical Name:

    Oxypaeoniflorin

  • Synonyms:

    β-D-Glucopyranoside,(1aR,2S,3aR,5R,5aR,5bS)-tetrahydro-5-hydroxy-5b-[[(4-hydroxybenzoyl)oxy]methyl]-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl;β-D-Glucopyranoside,tetrahydro-5-hydroxy-5b-[[(4-hydroxybenzoyl)oxy]methyl]-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl,[1aR-(1aα,2β,3aα,5α,5aα,5bα)]-;2,5-Methano-1H-3,4-dioxacyclobuta[cd]pentalene,β-D-glucopyranoside deriv.;(1aR,2S,3aR,5R,5aR,5bS)-Tetrahydro-5-hydroxy-5b-[[(4-hydroxybenzoyl)oxy]methyl]-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl β-D-glucopyranoside;Oxypaeoniflorin;Oxypeoniflorin;NSC 258310;Debenzoyl paeoniflorin

  • Categories:

    Biochemical Engineering  >  Plant Extracts

Description

Oxypaeoniflorin is a natural product derived from Radix Paeoniae Rubra and Radix Paeoniae Alba.

Oxypaeoniflorin Basic Attributes

496.462

496.46

Characteristics

184.60000

-0.17

1.7±0.1 g/cm3

737.1±60.0 °C at 760 mmHg

254.6±26.4 °C

1.708

Drug Information

oxypaeoniflora

Computed Properties

Molecular Weight:496.5
XLogP3:-1.4
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:7
Exact Mass:496.15807632
Monoisotopic Mass:496.15807632
Topological Polar Surface Area:185
Heavy Atom Count:35
Complexity:879
Defined Atom Stereocenter Count:10
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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