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Substance Name: Grosheimin
RN: 22489-66-3
UNII: ML3SLU81RH
InChIKey: YGMIBVIKXJJQQJ-MSOSQAFRSA-N

Note

  • From the aerial parts of V. decurens.

Classification Code

  • Mutation Data

Molecular Formula

  • C15-H18-O4

Molecular Weight

  • 262.3032
 
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Names and Synonyms

Name of Substance

  • Grosheimin

Synonyms

  • Grosheimin
  • Grossheimin
  • Grosshemin
  • NSC 295425
  • UNII-ML3SLU81RH

Systematic Names

  • 4-beta-H-Guaia-10(14),11(13)-dien-12-oic acid, 6-alpha,8-alpha-dihydroxy-3-oxo-, 12,6-lactone
  • Azuleno(4,5-b)furan-2,8(3H,4H)-dione, octahydro-4-hydroxy-9-methyl-3,6-bis(methylene)-, (3aR-(3aalpha,4alpha,6aalpha,9alpha,9aalpha,9bbeta))-

Registry Numbers

CAS Registry Number

  • 22489-66-3

FDA UNII

  • ML3SLU81RH

System Generated Number

  • 0022489663

Structure Descriptors

InChI

1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11+,12+,13-,14-/m1/s1

InChIKey

YGMIBVIKXJJQQJ-MSOSQAFRSA-N

Smiles

C[C@H]1[C@H]2[C@@H](CC1=O)C(=C)C[C@@H]([C@@H]3[C@@H]2OC(=O)C3=C)O