(1Ar,1Bs,4R,4As,7As,7Bs,8R,9R,9As)-9A-Acetoxy-4,4A,7B-Trihydroxy-1,1,3,6,8-Pentamethyl-5-Oxo-1A,1B,4,4A,5,7A,7B,8,9,9A-Decahydro-1H-Cyclopropa[3,4]Benzo[1,2-E]Azulen-9-Yl 2-{[2-(Methylamino)Benzoyl]Amino}Benzoate

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Formula C37H42N2O9
IUPAC Name (1ar,1bs,4r,4as,7as,7bs,8r,9r,9as)-9a-acetoxy-4,4a,7b-trihydroxy-1,1,3,6,8-pentamethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1h-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl 2-{[2-(methylamino)benzoyl]amino}benzoate
Molecular Mass 658.737 g·mol−1
Heat of Formation 2684.9 ± 16.7 kJ·mol−1
Dipole Moment 33.42 ± 1.08 D
Volume 734.43 Å 3
Surface Area 513.23 Å 2
Point Group Symmetry C1
Synonyms
  • 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4,4a,7b-trihydroxy-1,1,3,6,8-pentamethyl-5-oxo-1h-cyclopropa(3,4)benz(1,2-e)azulen-9-yl 2-((2-(methylamino)benzoyl)amino)benzoate (1ar-(1aalpha,1bbeta,4beta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-
  • benzoic acid, 2-((2-(methylamino)benzoyl)amino)-, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4,4a,7b-trihydroxy-1,1,3,6,8-pentamethyl-5-oxo-1h-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester, (1ar-(1aalpha,1bbeta,4beta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-
  • milliamine h
CAS Number(s)
  • 91197-53-4
InChIKey HRUJEWFJYODYPE-YAJLYFIVSA-N
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