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Astacene

Astacene structure

CAS No:
514-76-1
Formula:
C40H48O4
Chemical Name:
Astacene
Synonyms:
β,β-Carotene-3,3′,4,4′-tetrone;β-Carotene-3,3′,4,4′-tetrone,all-trans-;Astacene;Astacen;all-trans-β-Carotene-3,3′,4,4′-tetrone;4481-75-8;21701-03-1;28317-18-2
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

ChEBI: A carotenone that consists of beta,beta-carotene bearing four oxo substituents at positions 2, 2', 4 and 4'.

Astacene is a carotenone that consists of beta,beta-carotene bearing four oxo substituents at positions 2, 2', 4 and 4'. It derives from a hydride of a beta-carotene.

Astacene Basic Attributes

Molecular Weight：

592.80672

Exact Mass：

592.81

UNII：

1JRM9Z96G0

Characteristics

PSA：

68.3

XLogP3：

9.8

Melting Point：

240-243° (slow heating in evac tube, Karrer); mp 228° (Kuhn)

Drug Information

MeSH Entry Terms：

astacin

Computed Properties

Molecular Weight:592.8
XLogP3:9.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:10
Exact Mass:592.35526001
Monoisotopic Mass:592.35526001
Topological Polar Surface Area:68.3
Heavy Atom Count:44
Complexity:1430
Defined Bond Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes