(2Ar,3R,5S,5Ar,6R,6Ar,8R,9Ar,10As,10Br,10Cr)-3-Acetoxy-8-(3-Furyl)-6-(2-Methoxy-2-Oxoethyl)-2A,5A,6A,7-Tetramethyl-2A,4,5,5A,6,6A,8,9,9A,10A,10B,10C-Dodecahydro-2H,3H-Cyclopenta[B]Furo[2',3',4':4,5]Naphtho[2,3-D]Furan-5-Yl (2E)-2-Methyl-2-Butenoate

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Properties Simple | Detailed

Formula C34H44O9
IUPAC Name (2ar,3r,5s,5ar,6r,6ar,8r,9ar,10as,10br,10cr)-3-acetoxy-8-(3-furyl)-6-(2-methoxy-2-oxoethyl)-2a,5a,6a,7-tetramethyl-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-2h,3h-cyclopenta[b]furo[2',3',4':4,5]naphtho[2,3-d]furan-5-yl (2e)-2-methyl-2-butenoate
Molecular Mass 596.708 g·mol−1
Heat of Formation -1511.7 ± 16.7 kJ·mol−1
Dipole Moment 3.58 ± 1.08 D
Volume 708.61 Å 3
Surface Area 474.47 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 3.27 ± eV
Point Group Symmetry C1
Synonyms
  • 2h,3h-cyclopenta(d')naphtho(1,8-bc:2,3-b')difuran-6-acetic acid, 3-(acetyloxy)-8-(3-furanyl)-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-2a,5a,6a,7-tetramethyl-5-(((2e)-2-methyl-1-oxo-2-butenyl)oxy)-, methyl ester, (2ar,3r,5s,5ar,6r,6ar,8r,9ar,10as,10br,10cr)-
  • 2h,3h-cyclopenta(d')naphtho(1,8-bc:2,3-b')difuran-6-acetic acid, 3-(acetyloxy)-8-(3-furanyl)-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-2a,5a,6a,7-tetramethyl-5-((2-methyl-1-oxo-2-butenyl)oxy)-, methyl ester, (2aalpha,3beta,5beta(e), 5aalpha,6alpha,6aalpha,8beta,9abeta,10aalpha,10balpha,10cbeta)-(+)-
  • azadriactin
  • margosan-o
  • neem extract
InChIKey CJHBVBNPNXOWBA-REXVOHEDSA-N
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