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Substance Name: Ajugamarin E 2
RN: 123297-95-0
InChIKey: VSIJCFRXIFHCDV-BHVGLEMXSA-N

Molecular Formula

  • C27-H40-O9

Molecular Weight

  • 508.604
 
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Names and Synonyms

Results Name

  • Ajugamarin E 2

Synonym

  • Ajugamarin E 2

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 123297-95-0

System Generated Number

  • 0123297950

Structure Descriptors

InChI

1S/C27H40O9/c1-6-15(2)24(32)36-20(18-10-22(31)33-12-18)11-25(5)16(3)9-21(30)27(14-34-17(4)28)23(25)19(29)7-8-26(27)13-35-26/h10,15-16,19-21,23,29-30H,6-9,11-14H2,1-5H3/t15-,16+,19+,20-,21-,23+,25-,26?,27+/m0/s1

InChIKey

VSIJCFRXIFHCDV-BHVGLEMXSA-N

Smiles

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