Clift

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Formula C31H44O8
IUPAC Name (2s,3r,4s,5r,6s)-2-[[(3s,8r,9s,10r,13r,14s,17r)-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-5-methoxy-6-methyl-tetrahydropyran-2,3,4,5,6-pentaide-3,4-diolate
Molecular Mass 544.676 g·mol−1
Heat of Formation -1506.7 ± 16.7 kJ·mol−1
Dipole Moment 7.95 ± 1.08 D
Volume 655.06 Å 3
Surface Area 504.0 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy 2.50 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[(3s,8r,9s,10r,13r,14s,17r)-3-[(2r,3r,4s,5r,6s)-3,4-dihydroxy-5-methoxy-6-methyl-oxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
  • 5-[(3s,8r,9s,10r,13r,14s,17r)-3-[(2r,3r,4s,5r,6s)-3,4-dihydroxy-5-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
  • 5-[(3s,8r,9s,10r,13r,14s,17r)-3-[(2r,3r,4s,5r,6s)-3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
  • 5-[(3s,8r,9s,10r,13r,14s,17r)-3-[[(2r,3r,4s,5r,6s)-3,4-dihydroxy-5-methoxy-6-methyl-2-tetrahydropyranyl]oxy]-14-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-pyranone
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InChIKey RKWPZPDLTYBKCL-RVZGXXANSA-N
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