Bergamottin

CAS Registry Number®

7380-40-7

CAS Name

Bergamottin

Molecular Formula

C21H22O4

Molecular Mass

338.40

Cite this Page

Bergamottin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7380-40-7 (retrieved 2024-11-21) (CAS RN: 7380-40-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    53.5-54.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+

InChIKey

InChIKey=DBMJZOMNXBSRED-OQLLNIDSSA-N

SMILES

O(C/C=C(/CCC=C(C)C)\C)C=1C2=C(C=C3C1C=CO3)OC(=O)C=C2

Canonical SMILES

O=C1OC=2C=C3OC=CC3=C(OCC=C(C)CCC=C(C)C)C2C=C1

Other Names for this Substance

  • 7H-Furo[3,2-g][1]benzopyran-7-one, 4-[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy]-
  • 7H-Furo[3,2-g][1]benzopyran-7-one, 4-[(3,7-dimethyl-2,6-octadienyl)oxy]-, (E)-
  • Bergamottin
  • 7H-Furo[3,2-g][1]benzopyran-7-one, 4-[[(2E)-3,7-dimethyl-2,6-octadienyl]oxy]-
  • 4-[[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]oxy]-7H-furo[3,2-g][1]benzopyran-7-one

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