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Substance Name: Rosmarinine 2-acetate
RN: 137760-53-3
InChIKey: FUOIHFZKSQBMKK-XRKWPLKMSA-N

Molecular Weight

  • 395.449
 
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Names and Synonyms

Name of Substance

  • Rosmarinine 2-acetate

Synonyms

  • 2-O-Acetylrosmarinine
  • Rosmarinine 2-acetate

Systematic Name

  • Senecionan-11,16-dione, 2-(acetyloxy)-1,2-dihydro-12-hydroxy-, (1a,2a)-

Registry Numbers

CAS Registry Number

  • 137760-53-3

System Generated Number

  • 0137760533

Structure Descriptors

InChI

1S/C20H29NO7/c1-5-13-8-11(2)20(4,25)19(24)26-10-14-16(27-12(3)22)9-21-7-6-15(17(14)21)28-18(13)23/h5,11,14-17,25H,6-10H2,1-4H3/b13-5-/t11-,14+,15-,16-,17-,20-/m1/s1

InChIKey

FUOIHFZKSQBMKK-XRKWPLKMSA-N

Smiles

C1C[N@@]2[C@H]3[C@@H]1OC(=O)C(\C[C@H]([C@](C(=O)OC[C@H]3[C@@H](C2)OC(C)=O)(O)C)C)=C\C