(2S,3S,4R,5R,6R)-3,4,5-Trihydroxy-6-[[(3R,5S,8R,9S,10S,13S,14R,17R)-17-Hydroxy-17-[(1S)-1-Hydroxyethyl]-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl]Oxy]Tetrahydropyran-2-Carboxylic Acid

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Formula C27H38O9
IUPAC Name carbon dioxide; (2s)-2-[[(3r,5s,8r,9s,10s,13s,14r,17r)-17-hydroxy-17-[(1s)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]pyran-3,4,5-trione
Molecular Mass 506.585 g·mol−1
Heat of Formation -1409.6 ± 16.7 kJ·mol−1
Dipole Moment 3.07 ± 1.08 D
Volume 602.87 Å 3
Surface Area 469.88 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy -1.69 ± eV
Point Group Symmetry C1
InChIKey DUXHVCKABSGLJH-DHZCSXHBSA-N
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