19-Isopropyl-5,9-Dimethyl-14,16-Dioxo-15-Oxapentacyclo[10.5.2.0~1,10~.0~4,9~.0~13,17~]Nonadec-18-Ene-5-Carboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C24H32O5
IUPAC Name (1s,4r,5r,9r,10r,12r,13r,17r)-19-isopropyl-5,9-dimethyl-14,16-dioxo-15-oxapentacyclo[10.5.2.0 1,10 .0 4,9 .0 13,17 ]nonadec-18-ene-5-carboxylic acid
Molecular Mass 400.508 g·mol−1
Heat of Formation -1024.3 ± 16.7 kJ·mol−1
Dipole Moment 6.04 ± 1.08 D
Volume 482.73 Å 3
Surface Area 356.86 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy 0.25 ± eV
Point Group Symmetry C1
Synonyms
  • (4alpha,8alpha,12alpha,13r,14r)-16-isopropyl-17,19-dinoratis-15-ene-4,13,14-tricarboxylic acid, cyclic 13,14-anhydride
  • 17,19-dinoratis-15-ene-4,13,14-tricarboxylic acid, 16-(1-methylethyl)-, cyclic 13,14-anhydride, (4alpha,8alpha,12alpha,13r,14r)-
  • maleopimaric acid
CAS Number(s)
  • 5989-36-6
  • 20268-17-1
  • 22287-59-8
  • 29884-39-7
  • 510-39-4
InChIKey FEPCMSPFPMPWJK-OLPJDRRASA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O