(3β,7β,12β,25S)-3,7,12,20-Tetrahydroxy-11,15,23-Trioxolanost-8-En-26-Oic Acid

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Formula C30H44O9
IUPAC Name (2s,6s)-6-hydroxy-2-methyl-4-oxo-6-[(3s,5r,7s,10s,12s,13r,14r,17s)-3,7,12-trihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1h-cyclopenta[a]phenanthren-17-yl]heptanoic acid
Molecular Mass 548.665 g·mol−1
Heat of Formation -1826.7 ± 16.7 kJ·mol−1
Dipole Moment 3.73 ± 1.08 D
Volume 655.47 Å 3
Surface Area 482.9 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy 2.37 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,6s)-6-hydroxy-2-methyl-4-oxo-6-[(3s,5r,7s,10s,12s,13r,14r,17s)-3,7,12-trihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1h-cyclopenta[a]phenanthren-17-yl]heptanoic acid
  • (2s,6s)-6-hydroxy-4-keto-2-methyl-6-[(3s,5r,7s,10s,12s,13r,14r,17s)-3,7,12-trihydroxy-11,15-diketo-4,4,10,13,14-pentamethyl-2,3,5,6,7,12,16,17-octahydro-1h-cyclopenta[a]phenanthren-17-yl]enanthic acid
  • (3beta,7beta,12beta,20r)-3,7,12,20-tetrahydroxy-11,15,23-trioxolanost-8-en-26-oic acid
  • 20-hydroxylganoderic acid g
  • 6-hydroxy-2-methyl-4-oxo-6-(3,7,12-trihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl)-heptanoic acid
InChIKey HHCQRNABFNZPFW-RRQOCDKYSA-N
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