2-{(4R)-4-[(5S,7R,10S,12S,13R,17R)-2,7,12-Trihydroxy-10,13-Dimethylhexadecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Pentyl}Pentanedioic Acid

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Formula C29H48O7
IUPAC Name (2s)-2-[(4r)-4-[(2s,5s,7r,8s,9r,10s,12s,13r,14r,17r)-2,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentyl]pentanedioic acid
Molecular Mass 508.687 g·mol−1
Heat of Formation -1653.7 ± 16.7 kJ·mol−1
Dipole Moment 1.18 ± 1.08 D
Volume 637.37 Å 3
Surface Area 495.21 Å 2
HOMO Energy -10.21 ± 0.55 eV
LUMO Energy 0.67 ± eV
Point Group Symmetry C1
InChIKey PYDPTALDJCISIJ-YYHIAVMYSA-N
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