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Substance Name: Ajugamarin B 5
RN: 123297-93-8
InChIKey: FJJDSPCWGZYQBC-UHFFFAOYSA-N

Molecular Formula

  • C29-H42-O10

Molecular Weight

  • 550.641
 
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Names and Synonyms

Results Name

  • Ajugamarin B 5

Synonym

  • Ajugamarin B 5

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 123297-93-8

System Generated Number

  • 0123297938

Structure Descriptors

InChI

1S/C29H42O10/c1-7-16(2)26(34)39-21-8-9-28(15-36-28)29(14-30)23(38-19(5)32)10-17(3)27(6,25(21)29)12-22(37-18(4)31)20-11-24(33)35-13-20/h11,16-17,21-23,25,30H,7-10,12-15H2,1-6H3

InChIKey

FJJDSPCWGZYQBC-UHFFFAOYSA-N

Smiles

C([C@@H](CC)C)(=O)O[C@@H]1CC[C@@]2([C@@]3([C@@H](C[C@@H]([C@@]([C@@H]13)(C)C[C@@H](C=1COC(C1)=O)OC(=O)C)C)OC(=O)C)CO)OC2