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Paeonolide

Paeonolide structure

CAS No:
72520-92-4
Formula:
C20H28O12
Chemical Name:
Paeonolide
Synonyms:
Ethanone,1-[2-[(6-O-α-L-arabinopyranosyl-β-D-glucopyranosyl)oxy]-4-methoxyphenyl]-;Glucopyranoside,2-acetyl-5-methoxyphenyl O-α-L-arabinosyl-,β-D-;1-[2-[(6-O-α-L-Arabinopyranosyl-β-D-glucopyranosyl)oxy]-4-methoxyphenyl]ethanone;Paeonolide
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Paeonolide is a plant glycoside that contains a non-reducing end α-l-arabinopyranoside and is found in the roots of the widespread plant genus Paeonia[1].

Paeonolide is a glycoside.

Paeonolide Basic Attributes

Molecular Weight：

460.432

Exact Mass：

460.43

Characteristics

PSA：

184.60000

XLogP3：

0.04

Density：

1.54±0.1 g/cm3

Melting Point：

197°C(dec.)(lit.)

Boiling Point：

749.7±60.0 °C at 760 mmHg

Flash Point：

261.2±26.4 °C

Refractive Index：

1.626

Water Solubility：

H2O: Slightly soluble (6 g/L) (25 ºC)

Computed Properties

Molecular Weight:460.4
XLogP3:-2.7
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:7
Exact Mass:460.15807632
Monoisotopic Mass:460.15807632
Topological Polar Surface Area:185
Heavy Atom Count:32
Complexity:619
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes