1-(1-Carboxy-2-Propanyl)-5-[(3,3-Dimethyl-7-Oxabicyclo[2.2.1]Hept-1-Yl)Methyl]-7-Hydroxy-1,7A-Dimethyl-2,6,7,7A-Tetrahydro-1H-Indene-4-Carboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C25H36O6
IUPAC Name (1s,7r,7as)-1-[(1r)-2-carboxy-1-methyl-ethyl]-5-[[(1s,4s)-2,2-dimethyl-7-oxabicyclo[2.2.1]heptan-4-yl]methyl]-7-hydroxy-1,7a-dimethyl-6,7-dihydro-2h-indene-4-carboxylic acid
Molecular Mass 432.550 g·mol−1
Heat of Formation -1216.1 ± 16.7 kJ·mol−1
Dipole Moment 5.29 ± 1.08 D
Volume 535.98 Å 3
Surface Area 403.91 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,7r,7as)-5-[[(1s,4s)-5,5-dimethyl-7-oxabicyclo[2.2.1]heptan-1-yl]methyl]-7-hydroxy-1-[(1r)-3-hydroxy-1-methyl-3-oxo-propyl]-1,7a-dimethyl-6,7-dihydro-2h-indene-4-carboxylic acid
  • (1s,7r,7as)-5-[[(1s,4s)-5,5-dimethyl-7-oxabicyclo[2.2.1]heptan-1-yl]methyl]-7-hydroxy-1-[(1r)-3-hydroxy-1-methyl-3-oxopropyl]-1,7a-dimethyl-6,7-dihydro-2h-indene-4-carboxylic acid
  • (1s,7r,7as)-5-[[(1s,4s)-5,5-dimethyl-7-oxabicyclo[2.2.1]heptan-1-yl]methyl]-7-hydroxy-1-[(1r)-3-hydroxy-3-keto-1-methyl-propyl]-1,7a-dimethyl-6,7-dihydro-2h-indene-4-carboxylic acid
  • (1s,7r,7as)-5-[[(1s,4s)-5,5-dimethyl-7-oxabicyclo[2.2.1]heptan-1-yl]methyl]-7-hydroxy-1-[(2r)-4-hydroxy-4-oxo-butan-2-yl]-1,7a-dimethyl-6,7-dihydro-2h-indene-4-carboxylic acid
  • (1s,7r,7as)-5-[[(1s,4s)-5,5-dimethyl-7-oxabicyclo[2.2.1]heptan-1-yl]methyl]-7-hydroxy-1-[(2r)-4-hydroxy-4-oxobutan-2-yl]-1,7a-dimethyl-6,7-dihydro-2h-indene-4-carboxylic acid
  • glycinoeclepin a
CAS Number(s)
  • 83216-10-8
InChIKey JVZMODMXLQSGPI-MKBZWPJDSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O