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Substance Name: Ajugamarin E 3
RN: 123297-96-1
InChIKey: DRXQFROYDPGCHB-HMDICYLKSA-N

Molecular Formula

  • C29-H42-O10

Molecular Weight

  • 550.641
 
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Names and Synonyms

Results Name

  • Ajugamarin E 3

Synonym

  • Ajugamarin E 3

Systematic Names

  • Butanoic acid, 2-methyl-, (1S)-2-((1R,4R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-((acetyloxy)methyl)octahydro-4-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-(8-(acetyloxy)-8a-((acetyloxy)methyl)octahydro-4-hydroxy-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

  • 123297-96-1

System Generated Number

  • 0123297961

Structure Descriptors

InChI

1S/C29H42O10/c1-7-16(2)26(34)39-22(20-11-24(33)35-13-20)12-27(6)17(3)10-23(38-19(5)31)29(15-36-18(4)30)25(27)21(32)8-9-28(29)14-37-28/h11,16-17,21-23,25,32H,7-10,12-15H2,1-6H3/t16-,17+,21+,22-,23-,25+,27-,28?,29+/m0/s1

InChIKey

DRXQFROYDPGCHB-HMDICYLKSA-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)OC(=O)C)COC(=O)C)OC3)O)C)C=1COC(C1)=O