Astacene

CAS Registry Number®

514-76-1

CAS Name

Astacene

Molecular Formula

C40H48O4

Molecular Mass

592.81

Cite this Page

Astacene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=514-76-1 (retrieved 2024-09-28) (CAS RN: 514-76-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=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

InChIKey

InChIKey=RASZIXQTZOARSV-UHFFFAOYSA-N

SMILES

C(=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC=1C(C)(C)CC(=O)C(=O)C1C)C)C)C)C)C=2C(C)(C)CC(=O)C(=O)C2C

Canonical SMILES

O=C1C(=O)CC(C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC2=C(C(=O)C(=O)CC2(C)C)C)C)C)C)C)=C1C)(C)C

Other Names for this Substance

  • 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

Deleted or Replaced CAS Registry Numbers

4481-75-8, 21701-03-1, 28317-18-2

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