(3β,5β)-3,14-Dihydroxy-22-Methylenecardanolide

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Properties Simple | Detailed

Formula C24H36O4
IUPAC Name (4s)-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]-3-methylene-tetrahydrofuran-2-one
Molecular Mass 388.540 g·mol−1
Heat of Formation -886.9 ± 16.7 kJ·mol−1
Dipole Moment 5.20 ± 1.08 D
Volume 481.68 Å 3
Surface Area 362.76 Å 2
HOMO Energy -10.12 ± 0.55 eV
LUMO Energy -0.11 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-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]-3-methylene-2-tetrahydrofuranone
  • (4s)-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]-3-methylene-tetrahydrofuran-2-one
  • (4s)-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]-3-methylidene-oxolan-2-one
  • (4s)-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]-3-methylideneoxolan-2-one
InChIKey NBSKUOHKDWPXAA-JJNVXVOHSA-N
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