(3β,5β,12β)-3,12,14-Trihydroxycardanolide

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Properties Simple | Detailed

Formula C23H36O5
IUPAC Name (4r)-4-[(3s,5r,8r,9s,10s,12r,13s,14s,17r)-3,12,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]tetrahydrofuran-2-one
Molecular Mass 392.529 g·mol−1
Heat of Formation -1155.7 ± 16.7 kJ·mol−1
Dipole Moment 5.80 ± 1.08 D
Volume 476.26 Å 3
Surface Area 356.33 Å 2
HOMO Energy -10.29 ± 0.55 eV
LUMO Energy 1.00 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-4-[(3s,5r,8r,9s,10s,12r,13s,14s,17r)-3,12,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-tetrahydrofuranone
  • (4r)-4-[(3s,5r,8r,9s,10s,12r,13s,14s,17r)-3,12,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-one
  • (4r)-4-[(3s,5r,8r,9s,10s,12r,13s,14s,17r)-3,12,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]tetrahydrofuran-2-one
  • (5beta)-3beta,12beta,14-trihydroxycardanolide
  • 20,22-dihydrodigoxigenin
  • 5-beta-cardanolide, 3-beta,12-beta,14-trihydroxy- (6ci,7ci,8ci)
  • cardanolide, 3,12,14-trihydroxy-, (3-beta,5-beta,12-beta)-
  • dihydrodigoxigenin
CAS Number(s)
  • 4442-12-0
InChIKey MWPLZPAHTHIKQB-YNFYBLEISA-N
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