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Neoxanthin

Neoxanthin structure

Neoxanthin 

structure
  • CAS No:

    14660-91-4

  • Formula:

    C40H56O4

  • Chemical Name:

    Neoxanthin

  • Synonyms:

    β,β-Carotene-3,3′,5(6H)-triol,6,7-didehydro-5′,6′-epoxy-5′,6′-dihydro-,(3S,3′S,5R,5′R,6R,6′S,9′-cis)-;β-Carotene,6,7-didehydro-5′,6′-epoxy-5,5′,6,6′-tetrahydro-3,3′,5-trihydroxy-,(3S,3′S,5′R,6′S)-;β,β-Carotene,6,7-didehydro-5′,6′-epoxy-5,5′,6,6′-tetrahydro-3,3′,5-trihydroxy-,(3S,3′S,5R,5′R,6R,6′S,9′-cis)-;Foliaxanthin;(3S,3′S,5R,5′R,6R,6′S,9′-cis)-6,7-Didehydro-5′,6′-epoxy-5′,6′-dihydro-β,β-carotene-3,3′,5(6H)-triol;Neoxanthin;9-cis-Neoxanthin;Neoxanthine;cis-Neoxanthin;(9′Z)-Neoxanthin;9′Z-(6R)-neoxanthin;9′-cis-Neoxanthin;2034-64-2;23727-42-6;157966-40-0

Description

All-trans-neoxanthin is a neoxanthin in which all of the double bonds have trans geometry. It has a role as a biological pigment and a plant metabolite.

Neoxanthin Basic Attributes

602.88600

600.87

DTXSID60415095

Characteristics

73.22000

8.95340

1.06 g/cm3

733.3ºC at 760 mmHg

397.3ºC

1.573

0mmHg at 25°C

Drug Information

9'-cis-neoxanthin

Neoxanthin Use and Manufacturing

Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C40 isoprenoids (tetraterpenes) [PR0107]

Computed Properties

Molecular Weight:600.9
XLogP3:8.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:9
Exact Mass:600.41786026
Monoisotopic Mass:600.41786026
Topological Polar Surface Area:73.2
Heavy Atom Count:44
Complexity:1380
Defined Atom Stereocenter Count:5
Defined Bond Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:No

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