(3β,12β,20S,25R)-12-Acetoxy-3-Hydroxy-7,11,15,23-Tetraoxolanost-8-En-26-Oic Acid

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Properties Simple | Detailed

Formula C32H44O9
IUPAC Name (2r,6s)-6-[(3s,4s,5r,10s,12s,13r,14r,17r)-12-acetyloxy-4,4,10,13,14-pentamethyl-3-oxido-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxo-heptanoate
Molecular Mass 572.686 g·mol−1
Heat of Formation -1772.7 ± 16.7 kJ·mol−1
Dipole Moment 3.06 ± 1.08 D
Volume 683.5 Å 3
Surface Area 477.52 Å 2
HOMO Energy -9.75 ± 0.55 eV
LUMO Energy 2.05 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,6s)-6-[(3s,5r,10s,12s,13r,14r,17r)-12-acetoxy-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxo-heptanoic acid
  • (2r,6s)-6-[(3s,5r,10s,12s,13r,14r,17r)-12-acetoxy-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid
  • (2r,6s)-6-[(3s,5r,10s,12s,13r,14r,17r)-12-acetoxy-3-hydroxy-7,11,15-triketo-4,4,10,13,14-pentamethyl-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-4-keto-2-methyl-enanthic acid
  • (2r,6s)-6-[(3s,5r,10s,12s,13r,14r,17r)-12-acetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxo-heptanoic acid
  • (2r,6s)-6-[(3s,5r,10s,12s,13r,14r,17r)-12-acetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid
  • 12.beta.-acetyloxy-3.beta.-hydroxy-7,11,15,23-tetraoxolanost-8-en-26-oic acid
  • 12beta-acetyloxy-3beta-hydroxy-7,11,15,23-tetraoxolanost-8-en-26-oic acid
  • ganoderic acid h
CAS Number(s)
  • 98665-19-1
InChIKey YCXUCEXEMJPDRZ-QWPKPZHNSA-N
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