(2E)-3-[(2S,3As,3Br,5As,11Ar,12S,14R,15Bs,15Cs,17As)-12,17A-Dihydroxy-14-Isopropenyl-3A,9,9,11,11,15B,15C-Heptamethyl-3,3A,3B,4,5,5A,6,9,11,11A,12,13,14,15B,15C,16,17,17A-Octadecahydro-2H-[1]Benzofuro[4',5':6,7]Indeno[1,2-B]Pyrano[3',4':4,5]Cyclopenta[1,2-F]Pyrrolo[3,2,1-Hi]Indol-2-Yl]-2-Methylacrylic Acid

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Formula C31H47NO6
IUPAC Name (2e)-3-[(2s,3as,3br,5as,11ar,12s,14r,15bs,15cs,17as)-12,17a-dihydroxy-14-isopropenyl-3a,9,9,11,11,15b,15c-heptamethyl-3,3a,3b,4,5,5a,6,9,11,11a,12,13,14,15b,15c,16,17,17a-octadecahydro-2h-[1]benzofuro[4',5':6,7]indeno[1,2-b]pyrano[3',4':4,5]cyclopenta[1,2-f]pyrrolo[3,2,1-hi]indol-2-yl]-2-methylacrylic acid
Molecular Mass 529.708 g·mol−1
Heat of Formation -949.1 ± 16.7 kJ·mol−1
Dipole Moment 2.87 ± 1.08 D
Volume 841.7 Å 3
Surface Area 611.7 Å 2
HOMO Energy -8.04 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
InChIKey PLSGFSOLCKJLJQ-KHJKSYPCSA-N
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