Pinobanksin 3-acetate

CAS Registry Number®

52117-69-8
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CAS Name

Pinobanksin 3-acetate

Molecular Formula

C17H14O6

Molecular Mass

314.29

Cite this Page

Pinobanksin 3-acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=52117-69-8 (retrieved 2024-04-29) (CAS RN: 52117-69-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    173-175 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C17H14O6/c1-9(18)22-17-15(21)14-12(20)7-11(19)8-13(14)23-16(17)10-5-3-2-4-6-10/h2-8,16-17,19-20H,1H3/t16-,17+/m1/s1

InChIKey

InChIKey=BJYHZSNSMVEQEH-SJORKVTESA-N

SMILES

O(C(C)=O)[C@@H]1[C@H](OC=2C(C1=O)=C(O)C=C(O)C2)C3=CC=CC=C3

Canonical SMILES

O=C(OC1C(=O)C=2C(O)=CC(O)=CC2OC1C=3C=CC=CC3)C

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 3-(acetyloxy)-2,3-dihydro-5,7-dihydroxy-2-phenyl-, (2R,3R)-
  • 4H-1-Benzopyran-4-one, 3-(acetyloxy)-2,3-dihydro-5,7-dihydroxy-2-phenyl-, (2R-trans)-
  • (2R,3R)-3-(Acetyloxy)-2,3-dihydro-5,7-dihydroxy-2-phenyl-4H-1-benzopyran-4-one
  • Pinobanksin acetate
  • Pinobanksin 3-O-acetate

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Deleted or Replaced CAS Registry Numbers

120534-16-9, 669087-36-9, 835655-36-2, 144830-74-0, 241806-47-3

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