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Substance Name: Actinorhodine
RN: 1397-77-9
UNII: G4HH387T6Z
InChIKey: VTIKDEXOEJDMJP-WYUUTHIRSA-N

Classification Codes

  • Anti-Bacterial Agents
  • Anti-Infective Agents

Molecular Formula

  • C32-H26-O14

Molecular Weight

  • 634.5434
 
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Names and Synonyms

Name of Substance

  • Actinorhodin
  • Actinorhodine

Synonym

  • UNII-G4HH387T6Z

Systematic Name

  • (8,8'-Bi-1H-naphtho(2,3-c)pyran)-3,3'-diacetic acid, 3,3',4,4',5,5',10,10'-octahydro-6,6',9,9'-tetrahydroxy-1,1'-dimethyl-5,5',10,10'-tetraoxo-, (1R,1'R,3S,3'S)-

Registry Numbers

CAS Registry Number

  • 1397-77-9

FDA UNII

  • G4HH387T6Z

System Generated Number

  • 0001397779

Structure Descriptors

InChI

InChI=1S/C32H26O14/c1-9-21-15(3-11(45-9)5-19(35)36)29(41)23-17(33)7-13(27(39)25(23)31(21)43)14-8-18(34)24-26(28(14)40)32(44)22-10(2)46-12(6-20(37)38)4-16(22)30(24)42/h7-12,33-34,39-40H,3-6H2,1-2H3,(H,35,36)(H,37,38)/t9-,10-,11+,12+/m1/s1

InChIKey

VTIKDEXOEJDMJP-WYUUTHIRSA-N

Smiles

C[C@H]1O[C@H](CC(=O)O)CC2=C1C(=O)c3c(O)c(cc(O)c3C2=O)c4cc(O)c5C(=O)C6=C([C@@H](C)O[C@H](CC(=O)O)C6)C(=O)c5c4O