(3S,5S)-3,5-Dihydroxy-7-{(1S,2R,3R,4S,6R,8S,8Ar)-3,4,6-Trihydroxy-2-Methyl-8-[(2-Methylbutanoyl)Oxy]-1,2,3,4,6,7,8,8A-Octahydro-1-Naphthalenyl}Heptanoic Acid

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Formula C23H38O9
IUPAC Name (3s,5s)-7-[(1s,2r,3r,4s,6r,8s,8ar)-3,4,6-trihydroxy-2-methyl-8-[(2r)-2-methylbutanoyl]oxy-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl]-3,5-dihydroxy-heptanoic acid
Molecular Mass 458.542 g·mol−1
Heat of Formation -1939.9 ± 16.7 kJ·mol−1
Dipole Moment 1.79 ± 1.08 D
Volume 557.47 Å 3
Surface Area 408.05 Å 2
HOMO Energy -9.93 ± 0.55 eV
LUMO Energy 0.50 ± eV
Point Group Symmetry C1
InChIKey BVWLCXJEPYNBRS-NYIWCSTDSA-N
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