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Aromaticin

Aromaticin structure

Aromaticin 

structure
  • CAS No:

    5945-42-6

  • Formula:

    C15H18O3

  • Chemical Name:

    Aromaticin

  • Synonyms:

    Azuleno[6,5-b]furan-2,5-dione,3,3a,4,4a,7a,8,9,9a-octahydro-4a,8-dimethyl-3-methylene-,(3aR,4aS,7aR,8R,9aS)-;Ambrosa-2,11(13)-dien-12-oic acid,8α-hydroxy-4-oxo-,γ-lactone;Azuleno[6,5-b]furan-2,5-dione,3,3a,4,4a,7a,8,9,9a-octahydro-4a,8-dimethyl-3-methylene-,[3aR-(3aα,4aβ,7aα,8α,9aβ)]-;5-Azuleneacetic acid,3,3a,4,5α,6,7,8,8aα-octahydro-6α-hydroxy-3aβ,8α-dimethyl-α-methylene-3-oxo-,γ-lactone;(3aR,4aS,7aR,8R,9aS)-3,3a,4,4a,7a,8,9,9a-Octahydro-4a,8-dimethyl-3-methyleneazuleno[6,5-b]furan-2,5-dione;Aromaticin;Aromaticine;NSC 136049;886025-33-8;887774-39-2

Description

ChEBI: A sesquiterpene lactone that is 3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione substituted by methyl groups at positions 4a and 8 and a methylidene group at position 3. Isolated from the aerial parts of Inula hupehensis


Aromaticin is a sesquiterpene lactone that is 3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione substituted by methyl groups at positions 4a and 8 and a methylidene group at position 3. Isolated from the aerial parts of Inula hupehensis, it exhibits anti-inflammatory activity. It has a role as a metabolite, an anti-inflammatory agent and a plant metabolite. It is a gamma-lactone, a sesquiterpene lactone, a cyclic ketone and an organic heterotricyclic compound.

Aromaticin Basic Attributes

246.30162

246.30

136049

Characteristics

43.4

2.27550

1.16g/cm3

232-234 °C

418.5ºC at 760 mmHg

187.3ºC

1.544

Computed Properties

Molecular Weight:246.30
XLogP3:2.4
Hydrogen Bond Acceptor Count:3
Exact Mass:246.125594432
Monoisotopic Mass:246.125594432
Topological Polar Surface Area:43.4
Heavy Atom Count:18
Complexity:476
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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