(2E)-4-[(2S,17S)-12-Acetoxy-8,21,21-Trimethyl-5-(3-Methyl-2-Buten-1-Yl)-8-(4-Methyl-3-Penten-1-Yl)-14,18-Dioxo-3,7,20-Trioxahexacyclo[15.4.1.0~2,15~.0~2,19~.0~4,13~.0~6,11~]Docosa-4(13),5,9,11,15-Pentaen-19-Yl]-2-Methyl-2-Butenoic Acid

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Properties Simple | Detailed

Formula C40H46O9
IUPAC Name , (2z)-
Molecular Mass 670.788 g·mol−1
Heat of Formation -1494.8 ± 16.7 kJ·mol−1
Dipole Moment 3.37 ± 1.08 D
Volume 810.67 Å 3
Surface Area 533.63 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 2.21 ± eV
Point Group Symmetry C1
InChIKey REDMIYQFNIRTDF-RVJDPSPCSA-N
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