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Kirenol

Kirenol structure

CAS No:
52659-56-0
Formula:
C20H34O4
Chemical Name:
Kirenol
Synonyms:
1,7-Phenanthrenedimethanol,1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-3-hydroxy-α7-(hydroxymethyl)-1,4a,7-trimethyl-,(α7R,1R,3S,4aS,4bR,7S,10aS)-;1,7-Phenanthrenedimethanol,1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-3-hydroxy-α7-(hydroxymethyl)-1,4a,7-trimethyl-,[1R-[1α,3β,4aα,4bβ,7α(R*),10aβ]]-;(α7R,1R,3S,4aS,4bR,7S,10aS)-1,2,3,4,4a,4b,5,6,7,9,10,10a-Dodecahydro-3-hydroxy-α7-(hydroxymethyl)-1,4a,7-trimethyl-1,7-phenanthrenedimethanol;Kirenol
Categories:
Natural Products > Terpenes

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Description

Kirenol is isolated from Siegesbeckia orientalis with anti-inflammatory and analgesic activity[1].

Kirenol Basic Attributes

Molecular Weight：

338.48

Exact Mass：

338.48

HScode：

29399990

Characteristics

PSA：

80.92000

XLogP3：

1.78

Density：

1.2±0.1 g/cm3

Melting Point：

201-202 °C @ Solvent: Methanol

Boiling Point：

516.9±35.0 °C at 760 mmHg

Flash Point：

233.6±20.5 °C

Refractive Index：

1.570

Safety Information

safety instructions：

24/25

RTECS Number：

SF7352310

Drug Information

MeSH Entry Terms：

kirenol

Kirenol Use and Manufacturing

Kirenol is a pharmaceutical agent that induces apoptosis in human chronic myeloid leukemia cells. Chinonanol has the effects of dispelling rheumatism, anti-inflammatory and enhancing immunity.

Computed Properties

Molecular Weight:338.5
XLogP3:2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:338.24570956
Monoisotopic Mass:338.24570956
Topological Polar Surface Area:80.9
Heavy Atom Count:24
Complexity:518
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Kirenol

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

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