(3β,5β)-3,14-Dihydroxycardanolide

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Properties Simple | Detailed

Formula C23H36O4
IUPAC Name (4r)-4-[(3s,5r,8r,9s,10s,13r,14s,17r)-3,14-dihydroxy-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 376.530 g·mol−1
Heat of Formation -983.6 ± 16.7 kJ·mol−1
Dipole Moment 5.29 ± 1.08 D
Volume 466.01 Å 3
Surface Area 354.44 Å 2
HOMO Energy -10.14 ± 0.55 eV
LUMO Energy 1.25 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-4-[(3s,5r,8r,9s,10s,13r,14s,17r)-3,14-dihydroxy-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,13r,14s,17r)-3,14-dihydroxy-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,13r,14s,17r)-3,14-dihydroxy-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,14-dihydroxycardanolide
  • 20,22-dihydrodigitoxigenin
  • 5-beta-cardanolide, 3-beta,14-dihydroxy- (6ci,7ci,8ci)
  • dihydrodigitoxigenin
CAS Number(s)
  • 4427-85-4
InChIKey CIQHGVTXALCNSM-ROIXOECXSA-N
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