2-{[(3α,5Beta,7α)-3,7-Dihydroxy-24-Oxocholan-24-Yl]Amino}Ethanesulfonatato

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Formula C26H45NO6S
IUPAC Name 2-[[(4r)-4-[(3r,5s,7s,8r,9s,10s,13r,14s,17r)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
Molecular Mass 499.704 g·mol−1
Heat of Formation -1460.7 ± 16.7 kJ·mol−1
Dipole Moment 5.65 ± 1.08 D
Volume 617.1 Å 3
Surface Area 417.47 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy 0.19 ± eV
Point Group Symmetry C1
InChIKey BHTRKEVKTKCXOH-NLDAGDBJSA-N
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