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Asarinin

Asarinin structure

CAS No:
133-05-1
Formula:
C20H18O6
Chemical Name:
Asarinin
Synonyms:
1,3-Benzodioxole,5,5′-[(1R,3aR,4S,6aR)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis-,rel-;1H,3H-Furo[3,4-c]furan,3aβ,4,6,6aβ-tetrahydro-1α,4β-bis[3,4-(methylenedioxy)phenyl]-;1,3-Benzodioxole,5,5′-(tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl)bis-,(1α,3aα,4β,6aα)-;1H,3H-Furo[3,4-c]furan,1,3-benzodioxole deriv.;rel-5,5′-[(1R,3aR,4S,6aR)-Tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis[1,3-benzodioxole];Asarinin
Categories:
Biochemical Engineering > Chinese Herbs

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Asarinin Basic Attributes

Molecular Weight：

354.356

Exact Mass：

354.35

UNII：

C3RVX72NMG

HScode：

29329990

Characteristics

PSA：

55.38000

XLogP3：

3.32

Density：

1.4±0.1 g/cm3

Melting Point：

120-122 °C(lit.)

Boiling Point：

504.4±50.0 °C at 760 mmHg

Flash Point：

212.3±30.0 °C

Refractive Index：

1.623

Storage Conditions：

-20°C

Vapor Pressure：

8.38E-10mmHg at 25°C

Collision Cross Section：

171 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Safety Information

Transport codes：

NONH for all modes of transport

safety instructions：

24/25

Drug Information

MeSH Entry Terms：

1-asarinine

Computed Properties

Molecular Weight:354.4
XLogP3:2.7
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:354.11033829
Monoisotopic Mass:354.11033829
Topological Polar Surface Area:55.4
Heavy Atom Count:26
Complexity:482
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Asarinin

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
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Asarinin

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