12-Hydroxy-9-[3-hydroxy-3-(2-hydroxyphenyl)-1-oxo-2-propen-1-yl]-10,11-dimethoxy-3-(methoxycarbonyl)-1-oxo-1H-anthra[2,3-c]pyran-8-acetic acid

CAS Registry Number®

37577-75-6
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CAS Name

12-Hydroxy-9-[3-hydroxy-3-(2-hydroxyphenyl)-1-oxo-2-propen-1-yl]-10,11-dimethoxy-3-(methoxycarbonyl)-1-oxo-1H-anthra[2,3-c]pyran-8-acetic acid

Molecular Formula

C32H24O12

Molecular Mass

600.53

Cite this Page

12-Hydroxy-9-[3-hydroxy-3-(2-hydroxyphenyl)-1-oxo-2-propen-1-yl]-10,11-dimethoxy-3-(methoxycarbonyl)-1-oxo-1H-anthra[2,3-c]pyran-8-acetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=37577-75-6 (retrieved 2024-06-26) (CAS RN: 37577-75-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H24O12/c1-41-29-24(21(35)13-20(34)18-6-4-5-7-19(18)33)17(12-23(36)37)10-15-8-14-9-16-11-22(31(39)43-3)44-32(40)26(16)28(38)25(14)30(42-2)27(15)29/h4-11,13,33-34,38H,12H2,1-3H3,(H,36,37)

InChIKey

InChIKey=GGEDVBUCHDZLTH-UHFFFAOYSA-N

SMILES

O(C)C1=C2C(=CC3=C1C(O)=C4C(=C3)C=C(C(OC)=O)OC4=O)C=C(CC(O)=O)C(C(C=C(O)C5=C(O)C=CC=C5)=O)=C2OC

Canonical SMILES

O=C(OC)C=1OC(=O)C=2C(O)=C3C(=CC2C1)C=C4C=C(C(C(=O)C=C(O)C=5C=CC=CC5O)=C(OC)C4=C3OC)CC(=O)O

Other Names for this Substance

  • 1H-Anthra[2,3-c]pyran-8-acetic acid, 12-hydroxy-9-[3-hydroxy-3-(2-hydroxyphenyl)-1-oxo-2-propen-1-yl]-10,11-dimethoxy-3-(methoxycarbonyl)-1-oxo-
  • 1H-Anthra[2,3-c]pyran-8-acetic acid, 12-hydroxy-9-[3-hydroxy-3-(2-hydroxyphenyl)-1-oxo-2-propenyl]-10,11-dimethoxy-3-(methoxycarbonyl)-1-oxo-
  • 12-Hydroxy-9-[3-hydroxy-3-(2-hydroxyphenyl)-1-oxo-2-propen-1-yl]-10,11-dimethoxy-3-(methoxycarbonyl)-1-oxo-1H-anthra[2,3-c]pyran-8-acetic acid
  • Thermorubin A
  • Thermorubin

Deleted or Replaced CAS Registry Numbers

75262-07-6

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