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Norcimifugin

Norcimifugin structure

CAS No:
49624-66-0
Formula:
C15H16O6
Chemical Name:
Norcimifugin
Synonyms:
5H-Furo[3,2-g][1]benzopyran-5-one,2,3-dihydro-4-hydroxy-7-(hydroxymethyl)-2-(1-hydroxy-1-methylethyl)-,(2S)-;5H-Furo[3,2-g][1]benzopyran-5-one,2,3-dihydro-4-hydroxy-7-(hydroxymethyl)-2-(1-hydroxy-1-methylethyl)-,(S)-;Angelicain;(2S)-2,3-Dihydro-4-hydroxy-7-(hydroxymethyl)-2-(1-hydroxy-1-methylethyl)-5H-furo[3,2-g][1]benzopyran-5-one;Norcimifugin;NSC 246120;11053-47-7;52589-21-6
Categories:
Natural Products > Phenols

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Description

Angelicain (Norcimifugin) is a constituent of Cimicifuga foetida with anti-inflammatory activity[1].

Solid

(S)-Angelicain is an organic heterotricyclic compound and an oxacycle.

Norcimifugin Basic Attributes

Molecular Weight：

292.285

Exact Mass：

292.28

DSSTox ID：

DTXSID50418393

Characteristics

PSA：

100.13000

XLogP3：

1.69

Density：

1.5±0.1 g/cm3

Melting Point：

194 °C @ Solvent: Acetone

Boiling Point：

534.1±50.0 °C at 760 mmHg

Flash Point：

203.4±23.6 °C

Refractive Index：

1.643

Computed Properties

Molecular Weight:292.28
XLogP3:0.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:292.09468823
Monoisotopic Mass:292.09468823
Topological Polar Surface Area:96.2
Heavy Atom Count:21
Complexity:471
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes