Crocetin

CAS Registry Number®

27876-94-4
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CAS Name

Crocetin

Molecular Formula

C20H24O4

Molecular Mass

328.40

Cite this Page

Crocetin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=27876-94-4 (retrieved 2024-04-25) (CAS RN: 27876-94-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    286 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C20H24O4/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24/h5-14H,1-4H3,(H,21,22)(H,23,24)/b6-5+,11-7+,12-8+,15-9+,16-10+,17-13+,18-14+

InChIKey

InChIKey=PANKHBYNKQNAHN-MQQNZMFNSA-N

SMILES

C(=C(/C(O)=O)\C)\C=C\C(=C\C=C\C=C(\C=C\C=C(\C(O)=O)/C)/C)\C

Canonical SMILES

O=C(O)C(=CC=CC(=CC=CC=C(C=CC=C(C(=O)O)C)C)C)C

Other Names for this Substance

  • 2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 2,6,11,15-tetramethyl-, (2E,4E,6E,8E,10E,12E,14E)-
  • 2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 2,6,11,15-tetramethyl-, (all-E)-
  • 8,8′-Diapo-ψ,ψ-carotenedioic acid
  • Crocetin
  • (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-Tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedioic acid

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Deleted or Replaced CAS Registry Numbers

504-39-2, 763872-89-5, 189148-59-2

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