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Substance Name: Peroxyhypocrellin
RN: 80047-67-2
InChIKey: IJDYTMZCLRHIPL-UHFFFAOYSA-N

Note

  • A perylene quinonoid.

Molecular Weight

  • 580.539
 
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Names and Synonyms

Name of Substance

  • Peroxyhypocrellin

Systematic Name

  • 8a,13b-Epidioxy-2H-cyclohepta(ghi)perylene-6,12(1H,3H)-dione, 3-acetyl-2,5,11-trihydroxy-4,8,9,13-tetramethoxy-2-methyl-

Registry Numbers

CAS Registry Number

  • 80047-67-2

System Generated Number

  • 0080047672

Structure Descriptors

InChI

1S/C30H28O12/c1-9(31)21-27(40-6)24(34)19-15-11(32)8-13(38-4)16-12(37-3)7-10-14(17(15)16)18-20(26(39-5)25(35)23(10)33)28-29(2,36)30(21,22(18)19)42-41-28/h7-8,16,18,21,23,28,33-34,36H,1-6H3

InChIKey

IJDYTMZCLRHIPL-UHFFFAOYSA-N

Smiles

C1(=C([C@@H]([C@@]23[C@@]([C@@H](C=4[C@@H]5C6=C(C=C([C@@H]7C(=CC(C(=C67)C1=C25)=O)OC)OC)[C@@H](C(C4OC)=O)O)OO3)(C)O)C(=O)C)OC)O