(8Xi,9Xi,11β,14Xi)-11,17-Dihydroxy-3,20-Dioxopregn-4-En-21-Yl Lysinate

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Formula C27H42N2O6
IUPAC Name [2-[(8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] (2s)-2,6-diaminohexanoate
Molecular Mass 490.632 g·mol−1
Heat of Formation -1198.1 ± 16.7 kJ·mol−1
Dipole Moment 3.19 ± 1.08 D
Volume 612.48 Å 3
Surface Area 446.75 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy -0.02 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2,6-diaminohexanoic acid [2-[(8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
  • (2s)-2,6-diaminohexanoic acid [2-[(8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-3-keto-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester
  • [2-[(8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] (2s)-2,6-diaminohexanoate
  • [2-[(8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] (2s)-2,6-diaminohexanoate
InChIKey RUJMJVDZRXMDLY-QFDDTMGGSA-N
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