[(1Ar,1Bs,4Ar,7As,7Bs,8R,9R,9As)-1,1A,1B,4,4A,5,7A,7B,8,9-Decahydro-4A,7B-Dihydroxy-3-(Hydroxymethyl)-9-(Methoxymethoxy)-1,1,6,8-Tetramethyl-5-Oxo-9Ah-Cyclopropa[3,4]Benz[1,2-E]Azulen-9A-Yl] Decanoate

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Properties Simple | Detailed

Formula C32H50O8
IUPAC Name -yl ester
Molecular Mass 562.735 g·mol−1
Heat of Formation -1534.7 ± 16.7 kJ·mol−1
Dipole Moment 6.30 ± 1.08 D
Volume 710.1 Å 3
Surface Area 535.02 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • decanoic acid, (1ar,1bs,4ar,7as,7bs,8r,9r,9as)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-9-(methoxymethoxy)-1,1,6,8-tetramethyl-5-oxo-9ah-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl ester
InChIKey CKYIOSKIUGWMBM-VPQLAEANSA-N
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