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Substance Name: Glaucarubinone
RN: 1259-86-5
InChIKey: WRBGCYVAJRRQKP-STDAJNJZSA-N

Molecular Formula

  • C25-H34-O10

Molecular Weight

  • 494.5336
 
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Names and Synonyms

Name of Substance

  • Glaucarubinone

Synonyms

  • Glaucarubinone
  • NSC 132791
  • NSC 277286

Systematic Names

  • Butyric acid, 2-hydroxy-2-methyl-, 4-ester with 1,3abeta,4,7,7aalpha,11,11a,11balpha-octahydro-1alpha,2alpha,4beta,11beta-tetrahydroxy-3alpha,8,11abeta-trimethyl-2H-1,11cbeta-(epoxymethano)phenanthro(10,1-bc)pyran-5,10(3H,6abetaH)-dione (8CI)
  • Picras-3-ene-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-15-(2-hydroxy-2-methyl-1-oxobutoxy)-, (1beta,11beta,12alpha,15beta(S))- (9CI)

Registry Numbers

CAS Registry Number

  • 1259-86-5

System Generated Number

  • 0001259865

Structure Descriptors

InChI

1S/C25H34O10/c1-6-22(4,31)21(30)35-16-15-11(3)17(27)25(32)20-23(5)12(10(2)7-13(26)18(23)28)8-14(34-19(16)29)24(15,20)9-33-25/h7,11-12,14-18,20,27-28,31-32H,6,8-9H2,1-5H3/t11-,12+,14-,15-,16-,17-,18-,20-,22+,23-,24+,25+/m1/s1

InChIKey

WRBGCYVAJRRQKP-STDAJNJZSA-N

Smiles

C1(=O)C=C([C@H]2[C@@]([C@@H]1O)([C@@H]1[C@@]34[C@@H]([C@@H](OC([C@@](CC)(C)O)=O)C(=O)O[C@H]4C2)[C@@H](C)[C@H](O)[C@@]1(O)OC3)C)C