Punicalin

CAS Registry Number®

65995-64-4
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CAS Name

Punicalin

Molecular Formula

C34H22O22

Molecular Mass

782.53

Cite this Page

Punicalin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=65995-64-4 (retrieved 2024-04-26) (CAS RN: 65995-64-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H22O22/c35-3-9(38)21(42)28-10(39)4-53-31(49)5-1-7(36)19(40)22(43)11(5)13-17-15-16-18(34(52)56-29(15)26(47)24(13)45)14(25(46)27(48)30(16)55-33(17)51)12-6(32(50)54-28)2-8(37)20(41)23(12)44/h1-3,9-10,21,28,36-48H,4H2

InChIKey

InChIKey=GXGFDWGVOITBNW-UHFFFAOYSA-N

SMILES

O=C1C=2C=3C=4C5=C(C=6C(=CC(O)=C(O)C6O)C(=O)OCC(O)C(C(C(C=O)O)O)OC(=O)C=7C(C2C(O)=C(O)C3OC5=O)=C(O)C(O)=C(O)C7)C(O)=C(O)C4O1

Canonical SMILES

O=CC(O)C(O)C1OC(=O)C2=CC(O)=C(O)C(O)=C2C3=C(O)C(O)=C4OC(=O)C=5C(=C(O)C(O)=C6OC(=O)C3=C4C65)C7=C(O)C(O)=C(O)C=C7C(=O)OCC1O

Other Names for this Substance

  • D-Glucose, cyclic 4,6-[(2S,2′S)-2,2′-(5,10-dihydro-2,3,7,8-tetrahydroxy-5,10-dioxo[1]benzopyrano[5,4,3-cde][1]benzopyran-1,6-diyl)bis[3,4,5-trihydroxybenzoate]]
  • 2,20,1,23-(Epoxy[2]propene[1,2]diyl[3]ylidene)-11H,15H-tribenzo[g,i,q][1,5,12]trioxacyclononadecin, D-glucose deriv.
  • [1]Benzopyrano[5,4,3-cde][1]benzopyran, D-glucose deriv.
  • Punicalin

Deleted or Replaced CAS Registry Numbers

103488-39-7

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