Astacene - CAS 514-76-1

Astacene(CAT: R066542) is a chemical compound that belongs to the class of polycyclic aromatic hydrocarbons (PAHs). PAHs are organic compounds composed of multiple fused benzene rings. Astacene is a specific PAH that has been identified in certain environmental samples, including coal tar and petroleum products.

Catalog Number: R066542

CAS Number: 514-76-1

PubChem Substance ID:340590300

Molecular Formula: C40H48O4

Molecular Weight:592.82

Purity: ≥95%

* For research use only. Not for human or veterinary use.

Synonym

Synonyms3,3’‐Dihydroxy‐2,3,2’,3’‐tetradehydro‐β,β‐carotene‐4,4’‐dione

Property

Molecular Formula: C40H48O4
Molecular Weight592.82
Purity≥95%
StorageStore at -20°C
Related CAS.34026-74-9

Computed Descriptor

IUPAC Name3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3,4-dioxocyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-ene-1,2-dione
InChIInChI=1S/C40H48O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+
InChIKeyRASZIXQTZOARSV-QISQUURKSA-N
SMILESCC1=C(C(CC(=O)C1=O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)C(=O)CC2(C)C)C)C)C