ajugamarin F4

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Names

[ CAS No. ]:
122587-84-2

[ Name ]:
ajugamarin F4

[Synonym ]:
Butanoic acid,2-methyl-,2-(8-(acetyloxy)-8a-((acetyloxy)methyl)octahydro-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))
ajugamarin F4

Chemical & Physical Properties

[ Density]:
1.2g/cm3

[ Boiling Point ]:
622.5ºC at 760mmHg

[ Melting Point ]:
162-163 ºC

[ Molecular Formula ]:
C29H42O9

[ Molecular Weight ]:
534.63800

[ Flash Point ]:
260.5ºC

[ Exact Mass ]:
534.28300

[ PSA ]:
117.73000

[ LogP ]:
3.91400

[ Vapour Pressure ]:
2.02E-15mmHg at 25°C

[ Index of Refraction ]:
1.53

[ Water Solubility ]:
Practically insoluble (0.091 g/L) (25 ºC)

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Ethanoic anhydride
  • [(1S)-2-[(1S,2R,4S,4aR,8aR)-4-hydroxy-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

DownStream

Related Compounds

  • [(1R,4aR,5S,7R,8S,8aR)-4a-(acetyloxymethyl)-5-hydroxy-8-[(2S)-2-hydroxy-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] (2S)-2-methylbutanoate
  • ajugamarin A2
  • ajugamarin B1
  • [(1S)-2-[(1S,2R,4S,4aR,8aR)-4-hydroxy-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,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] (2S)-2-methylbutanoate
  • 2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-methylpiperazine
  • 2-(2,5-Dimethoxyphenyl)-1-methylpiperazine
  • 2-(2,4-Dimethoxyphenyl)-1-methylpiperazine
  • 2-Methoxy-4-(1-methylpiperazin-2-yl)phenol
  • 2-Methoxy-5-(1-methylpiperazin-2-yl)phenol
  • 2-(3-Bromophenyl)-1-methylpiperazine
  • 2-(4-Bromophenyl)-1-methylpiperazine
  • 2-[(5-Chloro-6-methyl-2-pyridinyl)methylene]hydrazinecarboxamide
  • 2-Chloro-1-(1-methylcyclopropyl)ethan-1-one
  • 1,2,4,5-Tetrazine hydrate(5:12)
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