(1R,3As,5Ar,5Br,7Ar,9S,11Ar,11Br,13Ar,13Bs)-1-Acetyl-9-Hydroxy-5A,5B,8,8,11A-Pentamethylicosahydro-3Ah-Cyclopenta[A]Chrysene-3A-Carboxylic Acid

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Formula C29H46O4
IUPAC Name (1r,3as,5ar,5br,7ar,9s,11ar,11br,13ar,13bs)-1-acetyl-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
Molecular Mass 458.673 g·mol−1
Heat of Formation -1060.7 ± 16.7 kJ·mol−1
Dipole Moment 2.17 ± 1.08 D
Volume 577.88 Å 3
Surface Area 419.08 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy 3.86 ± eV
Point Group Symmetry C1
Synonyms
  • 3-hydroxy-20-oxonorlupan-28-oic acid, (3.beta.)
  • 30-norlupan-28-oic acid, 3-hydroxy-20-oxo-, (3beta)-
  • 3beta-hydroxy-20-oxo-30-norlupan-28-oic acid
  • platanic acid
CAS Number(s)
  • 6060-06-6
InChIKey RVMPLOSJMIQORE-FUAAEJBOSA-N
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