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Substance Name: Neocercosporin
RN: 67533-78-2
InChIKey: QSDSSSQWVNLFIG-UHFFFAOYSA-N

Molecular Formula

  • C29-H26-O10

Molecular Weight

  • 534.514
 
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Names and Synonyms

Name of Substance

  • Neocercosporin

Synonym

  • 5,8-Dihydroxy-2,11-dimethoxy-1,12-(2-hydroxypropyl) -6,7-methylenedioxyperylene-3,10-quinone

Systematic Name

  • Perylo(1,12-def)-1,3-dioxepin-6,11-dione, 4,13-dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-dimethoxy-

Registry Numbers

CAS Registry Number

  • 67533-78-2

System Generated Number

  • 0067533782

Structure Descriptors

InChI

1S/C29H26O10/c1-10(30)5-14-20-18-12(24(34)26(14)36-3)7-16(32)28-22(18)23-19-13(8-17(33)29(23)39-9-38-28)25(35)27(37-4)15(21(19)20)6-11(2)31/h7-8,10-11,30-33H,5-6,9H2,1-4H3

InChIKey

QSDSSSQWVNLFIG-UHFFFAOYSA-N

Smiles

O1COc2c3c4c1c(cc1c(c(c(c(c5c(c(c(c(cc2O)c35)=O)OC)C[C@@H](C)O)c41)C[C@@H](C)O)OC)=O)O