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Substance Name: Nogalarene
RN: 11052-69-0
InChIKey: ZIOYGSZIUMVQSO-CWOXXLDKSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C29-H27-N-O10

Molecular Weight

  • 549.529
 
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Names and Synonyms

Results Name

  • Nogalarene

Synonym

  • Nogalarene

Systematic Name

  • 2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-14-carboxylic acid, 4-(dimethylamino)-3,4,5,6,9,16-hexahydro-3,5,8,10-tetrahydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester, (2-alpha,3-beta,4-alpha,5-beta,6-alpha)-

Registry Numbers

CAS Registry Number

  • 11052-69-0

System Generated Number

  • 0011052690

Structure Descriptors

InChI

1S/C29H27NO10/c1-10-6-7-11-12(16(10)27(37)38-5)8-13-17(21(11)32)23(34)18-15(31)9-14-25(19(18)22(13)33)39-28-24(35)20(30(3)4)26(36)29(14,2)40-28/h6-9,20,24,26,28,31-32,35-36H,1-5H3/t20-,24-,26+,28+,29+/m0/s1

InChIKey

ZIOYGSZIUMVQSO-CWOXXLDKSA-N

Smiles

O1c2c([C@@]3([C@@H]([C@H]([C@@H]([C@@H]1O3)O)N(C)C)O)C)cc(c1C(c3c(c4ccc(c(c4cc3C(c21)=O)C(=O)OC)C)O)=O)O