6′,7′-Dihydroxybergamottin

CAS Registry Number®

145414-76-2

CAS Name

6′,7′-Dihydroxybergamottin

Molecular Formula

C21H24O6

Molecular Mass

372.41

Cite this Page

6′,7′-Dihydroxybergamottin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=145414-76-2 (retrieved 2024-11-24) (CAS RN: 145414-76-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    112-113 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1/C21H24O6/c1-13(4-6-18(22)21(2,3)24)8-10-26-20-14-5-7-19(23)27-17(14)12-16-15(20)9-11-25-16/h5,7-9,11-12,18,22,24H,4,6,10H2,1-3H3/b13-8+

InChIKey

InChIKey=IXZUPBUEKFXTSD-MDWZMJQENA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 7H-Furo[3,2-g][1]benzopyran-7-one, 4-[[(2E)-6,7-dihydroxy-3,7-dimethyl-2-octen-1-yl]oxy]-
  • 7H-Furo[3,2-g][1]benzopyran-7-one, 4-[(6,7-dihydroxy-3,7-dimethyl-2-octenyl)oxy]-, (E)-
  • 7H-Furo[3,2-g][1]benzopyran-7-one, 4-[[(2E)-6,7-dihydroxy-3,7-dimethyl-2-octenyl]oxy]-
  • 4-[[(2E)-6,7-Dihydroxy-3,7-dimethyl-2-octen-1-yl]oxy]-7H-furo[3,2-g][1]benzopyran-7-one
  • 6′,7′-Dihydroxybergamottin

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