ajugamarin A2

Names

[ CAS No. ]:
122587-82-0

[ Name ]:
ajugamarin A2

[Synonym ]:
[(1R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-8-[(2S)-2-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (E)-2-methylbut-2-enoate

Chemical & Physical Properties

[ Density]:
1.25g/cm3

[ Boiling Point ]:
667.5ºC at 760mmHg

[ Molecular Formula ]:
C31H42O11

[ Molecular Weight ]:
590.65900

[ Flash Point ]:
276.7ºC

[ Exact Mass ]:
590.27300

[ PSA ]:
144.03000

[ LogP ]:
3.37570

[ Vapour Pressure ]:
1.1E-17mmHg at 25°C

[ Index of Refraction ]:
1.54

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Ethanoic anhydride
  • (4R,5α,8α,9S,10β,12S)-6α,18-Diacetoxy-4,19-epoxy-12,16-dihydroxy-1β-(tigloyloxy)cleroda-13-ene-15-oic acid 15,16-lactone

DownStream

Related Compounds

  • [(1S)-2-[(1S,2R,4S,4aR,8aR)-4a-(acetyloxymethyl)-4-hydroxy-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] (2S)-2-methylbutanoate
  • ajugamarin B1
  • [(1S)-2-[(1S,2R,4S,4aR,8aR)-4-acetyloxy-4a-(hydroxymethyl)-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] (2S)-2-methylbutanoate
  • ajugamarin G1
  • [(1R,4R,4aR,5S,7R,8S,8aR)-4,4a-bis(acetyloxymethyl)-4,5-dihydroxy-8-[(2S)-2-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] (2S)-2-methylbutanoate
  • ajugamarin H1