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Purpurquinone A

CAS Registry Number®

1333907-59-7
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CAS Name

Purpurquinone A

Molecular Formula

C21H20O9

Molecular Mass

416.38

Cite this Page

Purpurquinone A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1333907-59-7 (retrieved 2024-09-20) (CAS RN: 1333907-59-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H20O9/c1-4-5-13-7-11-8-15(24)20(3,18(26)21(11,28)19(27)29-13)30-17(25)16-10(2)6-12(22)9-14(16)23/h4-9,19,22-23,27-28H,1-3H3/b5-4+/t19-,20+,21+/m0/s1

InChIKey

InChIKey=AWAFQUDYYMTSLY-QWOQCBQGSA-N

SMILES

O[C@@]12C(C=C(/C=C/C)O[C@@H]1O)=CC(=O)[C@](OC(=O)C3=C(C)C=C(O)C=C3O)(C)C2=O

Canonical SMILES

O=C(OC1(C(=O)C=C2C=C(OC(O)C2(O)C1=O)C=CC)C)C=3C(O)=CC(O)=CC3C

Other Names for this Substance

  • Benzoic acid, 2,4-dihydroxy-6-methyl-, (1S,7R,8aS)-6,7,8,8a-tetrahydro-1,8a-dihydroxy-7-methyl-6,8-dioxo-3-(1E)-1-propen-1-yl-1H-2-benzopyran-7-yl ester
  • Purpurquinone A
  • (1S,7R,8aS)-1,8a-Dihydroxy-7-methyl-6,8-dioxo-3-(E-prop-1-enyl)-6,7,8,8a-tetrahydro-1H-isochromen-7-yl 2,4-dihydroxy-6-methylbenzoate
  • 6′′-Deoxypurpurquinone B
  • 1-Hydroxypurpurquinone C