ajugamarin G1

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Names

[ CAS No. ]:
122587-83-1

[ Name ]:
ajugamarin G1

[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 F 4
[(1S)-2-[(1S,2R,4S,4aR,8R,8aR)-4-acetyloxy-4a-(acetyloxymethyl)-1,2-dimethyl-8-[(E)-2-methylbut-2-enoyl]oxyspiro[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

Chemical & Physical Properties

[ Density]:
1.21g/cm3

[ Boiling Point ]:
691.1ºC at 760mmHg

[ Melting Point ]:
165-167 ºC (ethanol )

[ Molecular Formula ]:
C34H48O11

[ Molecular Weight ]:
632.73800

[ Flash Point ]:
282.7ºC

[ Exact Mass ]:
632.32000

[ PSA ]:
144.03000

[ LogP ]:
4.40190

[ Vapour Pressure ]:
5.97E-19mmHg at 25°C

[ Index of Refraction ]:
1.534

[ Water Solubility ]:
Practically insoluble (0.037 g/L) (25 ºC)

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • (S)-2-Methylbutanoyl chloride
  • (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)-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 chlorohydrin
  • ajugamarin F4
  • [(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
  • [(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
  • Ajugamarin L2
  • 6-Thia-3-azabicyclo[3.2.0]heptane 6,6-dioxide
  • 3-(Cyanomethyl)-3-hydroxycyclobutanecarbonitrile
  • 6-Bromo-3-ethyl-1,2,3,4-tetrahydro-1,8-naphthyridine
  • 1'H-Spiro[pyrrolidine-2,3'-quinolin]-2'(4'H)-one
  • (4S,4aS,6S,8R)-8-Hydroxy-6-(2-hydroxypropan-2-yl)-4,4a-dimethyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
  • 2-Chloro-3-fluoro-4H-pyrido[1,2-a]pyrimidin-4-one
  • 5,5-Difluoro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
  • (S)-10,10-Dimethyl-9-oxo-1-oxa-4-azaspiro[5.5]undec-7-ene-8-carbonitrile
  • Diethyl 4-oxo-1,4-dihydroquinoline-2,8-dicarboxylate
  • 6-Chloro-3-iodo-5-methoxy-1H-indazole
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