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Substance Name: Holacanthone
RN: 77648-51-2
UNII: 2IOG5P77VR
InChIKey: KIZWNNDWEPUGBU-OBWYKSPLSA-N

Molecular Weight

  • 438.47
 
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Names and Synonyms

Name of Substance

  • Holacanthone

Synonyms

  • NSC 126765
  • UNII-2IOG5P77VR

Systematic Name

  • Picrasane-2,16-dione, 15-(acetyloxy)-11,20-epoxy-1,11,12-trihydroxy-, (1beta,4beta,11beta,12alpha,15beta)-

Registry Numbers

CAS Registry Number

  • 77648-51-2

FDA UNII

  • 2IOG5P77VR

System Generated Number

  • 0077648512

Structure Descriptors

InChI

1S/C22H30O9/c1-8-5-12(24)17(26)20(4)11(8)6-13-21-7-29-22(28,19(20)21)16(25)9(2)14(21)15(18(27)31-13)30-10(3)23/h8-9,11,13-17,19,25-26,28H,5-7H2,1-4H3/t8-,9+,11?,13+,14-,15+,16+,17+,19+,20+,21-,22-/m0/s1

InChIKey

KIZWNNDWEPUGBU-OBWYKSPLSA-N

Smiles

C1(=O)C[C@@H]([C@@H]2[C@@]([C@@H]1O)(C)[C@@H]1[C@]34[C@@H]([C@H]([C@H]([C@@]1(O)OC4)O)C)[C@@H](OC(C)=O)C(=O)O[C@H]3C2)C