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Substance Name: Ajugamarin F 3
RN: 123297-98-3
InChIKey: DLWHBMFPGCORJS-XGYWGJSESA-N

Molecular Formula

  • C27-H40-O8

Molecular Weight

  • 492.605
 
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Names and Synonyms

Results Name

  • Ajugamarin F 3

Synonym

  • Ajugamarin F 3

Systematic Names

  • Butanoic acid, 2-methyl-, (1S)-2-((1R,4aR,5S,6R,8S,8aR)-8a-((acetyloxy)methyl)octahydro-8-hydroxy-5,6-dimethylspiro(naphthalene-1(2H),2'-oxiran)-5-yl)-1-(2,5-dihydro-5-oxo-3-furanyl)ethyl ester, (2S)-
  • Butanoic acid, 2-methyl-, 2-(8a-((acetyloxy)methyl)octahydro-8-hydroxy-5,6-dimethylspiro(naphthalene-1(2H),2'-oxiran)-5-yl)-1-(2,5-dihydro-5-oxo-3-furanyl)ethyl ester, (1R-(1alpha,4abeta,5beta(S*(S*)),6alpha,8alpha,8aalpha))-

Registry Numbers

CAS Registry Number

  • 123297-98-3

System Generated Number

  • 0123297983

Structure Descriptors

InChI

1S/C27H40O8/c1-6-16(2)24(31)35-20(19-11-23(30)32-13-19)12-25(5)17(3)10-22(29)27(15-33-18(4)28)21(25)8-7-9-26(27)14-34-26/h11,16-17,20-22,29H,6-10,12-15H2,1-5H3/t16-,17+,20-,21+,22-,25-,26?,27-/m0/s1

InChIKey

DLWHBMFPGCORJS-XGYWGJSESA-N

Smiles

C([C@H](CC)C)(=O)O[C@@H](C[C@@]1([C@H]2CCC[C@@]3([C@@]2([C@H](C[C@H]1C)O)COC(=O)C)OC3)C)C=1COC(C1)=O