3-[(1R,3As,3Br,6R,6Ar,7As,9Ar)-1-[(2R,5R)-5,6-Dihydroxy-6-Methyl-2-Heptanyl]-6-(3-Hydroxy-1-Propen-2-Yl)-3A,9A-Dimethyldecahydro-1H-Cyclopenta[A]Cyclopropa[E]Naphthalen-6A(7H)-Yl]Propanoic Acid

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Formula C30H46O5
IUPAC Name 3-[(1r,3as,3br,6r,6ar,7as,9ar)-1-[(2r,5r)-5,6-dihydroxy-6-methyl-2-heptanyl]-6-(3-hydroxy-1-propen-2-yl)-3a,9a-dimethyldecahydro-1h-cyclopenta[a]cyclopropa[e]naphthalen-6a(7h)-yl]propanoic acid
Molecular Mass 486.683 g·mol−1
Heat of Formation -1134.4 ± 16.7 kJ·mol−1
Dipole Moment 4.11 ± 1.08 D
Volume 642.85 Å 3
Surface Area 492.92 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy 3.99 ± eV
Point Group Symmetry C1
InChIKey NFSDEMPRAKPPFK-HCQHQNCXSA-N
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