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Echinenone

Echinenone structure

CAS No:
432-68-8
Formula:
C40H54O
Chemical Name:
Echinenone
Synonyms:
β,β-Caroten-4-one;β-Caroten-4-one,all-trans-;β-Caroten-4-one;Echinenone;Echinenon;Echinenone,all-trans-;Myxoxanthine;all-trans-Echinenone;β-Echinenone;7540-35-4
Categories:
Food Additives > Nutrition Supplements

Description

ChEBI: A carotenone that is beta-carotene in which the 4 position has undergone formal oxidation to afford the corresponding ketone. Isolated as orange-red crystals, it is widely distributed in marine invertebrates.

Echinenone is a carotenone that is beta-carotene in which the 4 position has undergone formal oxidation to afford the corresponding ketone. Isolated as orange-red crystals, it is widely distributed in marine invertebrates. It has a role as a bacterial metabolite, a marine metabolite, an animal metabolite and a cofactor. It derives from a hydride of a beta-carotene.

Echinenone Basic Attributes

Molecular Weight：

550.86

Exact Mass：

550.86

EC Number：

207-083-4

UNII：

LJ5IO02MNQ

Characteristics

PSA：

17.1

XLogP3：

13.10

Density：

1.0±0.1 g/cm3

Melting Point：

179 °C

Boiling Point：

685.3±25.0 °C at 760 mmHg

Flash Point：

370.8±14.0 °C

Refractive Index：

1.571

Safety Information

wgk germany：

Drug Information

MeSH Entry Terms：

9'-cis-echinenone

Echinenone Use and Manufacturing

Use Classification：

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

Computed Properties

Molecular Weight:550.9
XLogP3:12.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:10
Exact Mass:550.417466342
Monoisotopic Mass:550.417466342
Topological Polar Surface Area:17.1
Heavy Atom Count:41
Complexity:1300
Defined Bond Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 432-68-8

Grade: Industrial Grade

Content: 98%

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