(3R,3Ar,5As,7As,8S,9R,10S,11S,11As,11Bs,13As,13Br)-9,10,11-Trihydroxy-3-Isopropyl-3A,5A,8,13A-Tetramethyl-1,2,3,3A,4,5,5A,7,7A,8,9,10,11,11B,12,13,13A,13B-Octadecahydro-11Ah-Cyclopenta[A]Chrysene-8,11A-Dicarboxylic Acid

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Formula C30H46O7
IUPAC Name (3r,3ar,5as,7as,8s,9r,10s,11s,11as,11bs,13as,13br)-3a,5a,8,13a-tetramethyl-3-(1-methylethyl)-9,10,11-trioxido-2,3,4,5,7,7a,10,11,11b,12,13,13b-dodecahydro-1h-cyclopenta[a]chrysen-9-ide-8,11a-dicarboxylate
Molecular Mass 518.682 g·mol−1
Heat of Formation -1532.8 ± 16.7 kJ·mol−1
Dipole Moment 1.55 ± 1.08 D
Volume 623.69 Å 3
Surface Area 446.76 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy 0.12 ± eV
Point Group Symmetry C1
CAS Number(s)
  • 174158-04-4
InChIKey XQTYVRJXBNIGML-WCANRZOWSA-N
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