(7R,8aS)-6,7,8,8a-Tetrahydro-8a-hydroxy-7-methyl-6,8-dioxo-3-(1E)-1-propen-1-yl-1H-2-benzopyran-7-yl 2,4-dihydroxy-6-methylbenzoate

CAS Registry Number®

1333907-62-2

CAS Name

(7R,8aS)-6,7,8,8a-Tetrahydro-8a-hydroxy-7-methyl-6,8-dioxo-3-(1E)-1-propen-1-yl-1H-2-benzopyran-7-yl 2,4-dihydroxy-6-methylbenzoate

Molecular Formula

C21H20O8

Molecular Mass

400.38

Cite this Page

(7R,8aS)-6,7,8,8a-Tetrahydro-8a-hydroxy-7-methyl-6,8-dioxo-3-(1E)-1-propen-1-yl-1H-2-benzopyran-7-yl 2,4-dihydroxy-6-methylbenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1333907-62-2 (retrieved 2024-11-08) (CAS RN: 1333907-62-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H20O8/c1-4-5-14-7-12-8-16(24)20(3,19(26)21(12,27)10-28-14)29-18(25)17-11(2)6-13(22)9-15(17)23/h4-9,22-23,27H,10H2,1-3H3/b5-4+/t20-,21-/m1/s1

InChIKey

InChIKey=MZHBZSGFVGKNQP-QLAYCGNHSA-N

SMILES

O[C@]12C(=CC(=O)[C@](OC(=O)C3=C(C)C=C(O)C=C3O)(C)C1=O)C=C(/C=C/C)OC2

Canonical SMILES

O=C(OC1(C(=O)C=C2C=C(OCC2(O)C1=O)C=CC)C)C=3C(O)=CC(O)=CC3C

Other Names for this Substance

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

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles