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Demethylzeylasteral

Demethylzeylasteral structure

CAS No:
107316-88-1
Formula:
C29H36O6
Chemical Name:
Demethylzeylasteral
Synonyms:
24,25,26-Trinoroleana-1,3,5(10),7-tetraen-29-oic acid,2,3-dihydroxy-9,13-dimethyl-6,23-dioxo-,(9β,13α,14β,20α)-;D:A-Friedo-24-noroleana-1,3,5(10),7-tetraen-29-oic acid,2,3-dihydroxy-6,23-dioxo-,(20α)-;(9β,13α,14β,20α)-2,3-Dihydroxy-9,13-dimethyl-6,23-dioxo-24,25,26-trinoroleana-1,3,5(10),7-tetraen-29-oic acid;Demethylzeylasteral;TZ 93
Categories:
Biochemical Engineering > Plant Extracts

Description

ChEBI: A carbopolycyclic compound with formula C29H36O6, originally isolated from Tripterygium wilfordii.

Demethylzeylasteral is a carbopolycyclic compound with formula C29H36O6, originally isolated from Tripterygium wilfordii. It has a role as a plant metabolite, an EC 2.4.1.17 (glucuronosyltransferase) inhibitor, an immunosuppressive agent, an anti-inflammatory agent and a nephroprotective agent. It is a carbopolycyclic compound, an enone, a cyclic ketone, an arenecarbaldehyde, an oxo monocarboxylic acid and a member of benzenediols.

Demethylzeylasteral Basic Attributes

Molecular Weight：

480.601

Exact Mass：

480.59

Characteristics

PSA：

112

XLogP3：

6.2

Density：

1.31

Boiling Point：

663.6±55.0 °C(Predicted)

Flash Point：

369.1±28.0 °C

Refractive Index：

1.628

Drug Information

MeSH Entry Terms：

demethylzeylasteral

Computed Properties

Molecular Weight:480.6
XLogP3:6.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:480.25118886
Monoisotopic Mass:480.25118886
Topological Polar Surface Area:112
Heavy Atom Count:35
Complexity:1000
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Demethylzeylasteral

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties
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