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Cyasterone

Cyasterone structure

CAS No:
17086-76-9
Formula:
C29H44O8
Chemical Name:
Cyasterone
Synonyms:
Stigmast-7-en-26-oic acid,2,3,14,20,22,28-hexahydroxy-6-oxo-,γ-lactone,(2β,3β,5β,22R,24S,25S,28R)-;5β-Stigmast-7-en-26-oic acid,2β,3β,14,20,22,28-hexahydroxy-6-oxo-,γ-lactone,(22R,24S,25S,28R)-;Cyasterone;Cyasteron
Categories:
Biochemical Engineering > Plant Extracts

Description

Cyasterone, a natural EGFR inhibitor, mainly isolated from Ajuga decumbens Thunb (Labiatae).Cyasterone manifests anti-proliferation effect by induced apoptosis and cell cycle arrests. Cyasterone may serves as a clinical therapeutic anti-tumor agent against human tumors[1].

Cyasterone is a steroid lactone, a 21-hydroxy steroid, a 2beta-hydroxy steroid, a 3beta-hydroxy steroid, a 14alpha-hydroxy steroid, a 20-hydroxy steroid, a 6-oxo steroid and a phytoecdysteroid.

Cyasterone Basic Attributes

Molecular Weight：

520.65

Exact Mass：

520.65

HScode：

29322090

Characteristics

PSA：

145 Å²

XLogP3：

1.89060

Density：

1.31±0.1 g/cm3(Predicted)

Melting Point：

164-166 °C

Boiling Point：

735.2±60.0 °C(Predicted)

Flash Point：

242.0±26.4 °C

Refractive Index：

1.600

Vapor Pressure：

6E-25mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

safety instructions：

24/25

RTECS Number：

WJ2510000

Drug Information

MeSH Entry Terms：

cyasterone

Cyasterone Use and Manufacturing

Use Classification：

Lipids -> Sterol Lipids [ST] -> Sterols [ST01] -> Stigmasterols and C24-ethyl derivatives [ST0104]

Computed Properties

Molecular Weight:520.7
XLogP3:1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:520.30361836
Monoisotopic Mass:520.30361836
Topological Polar Surface Area:145
Heavy Atom Count:37
Complexity:1010
Defined Atom Stereocenter Count:13
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Cyasterone

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
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Cyasterone

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