(15α,16Beta)-15-Carboxy-13-Isopropylatis-13-Ene-17,19-Dioic Acid

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Properties Simple | Detailed

Formula C24H34O6
IUPAC Name (15alpha,16beta)-15-carboxy-13-isopropylatis-13-ene-17,19-dioic acid
Molecular Mass 418.523 g·mol−1
Heat of Formation -1328.1 ± 16.7 kJ·mol−1
Dipole Moment 0.41 ± 1.08 D
Volume 503.02 Å 3
Surface Area 374.71 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy 0.62 ± eV
Point Group Symmetry C1
Synonyms
  • (4alpha,8alpha,12alpha,13r,14s)-16-isopropyl-17,19-dinoratis-15-ene-4,13,14-tricarboxylic acid
  • 17,19-dinoratis-15-ene-4,13,14-tricarboxylic acid, 16-(1-methylethyl)-, (4alpha,8alpha,12alpha,13r,14s)-
  • fumaropimaric acid
CAS Number(s)
  • 125-66-6
  • 19742-24-6
  • 21654-14-8
  • 29283-39-4
InChIKey PXYRCOIAFZBLBN-WLKVPWDOSA-N
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