(2E,4E)-5-{(1R,2R,4As,5R,8R,8Ar)-5-Hydroxy-2-[(2E)-4-Hydroxy-2-Buten-2-Yl]-3,8-Dimethyl-1,2,4A,5,6,7,8,8A-Octahydro-1-Naphthalenyl}-2,4-Pentadienoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C21H30O4
IUPAC Name (2e,4e)-5-[(1r,2r,4as,5r,8r,8ar)-5-hydroxy-2-[(e)-3-hydroxy-1-methyl-prop-1-enyl]-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid
Molecular Mass 346.461 g·mol−1
Heat of Formation -724.3 ± 16.7 kJ·mol−1
Dipole Moment 1.52 ± 1.08 D
Volume 452.67 Å 3
Surface Area 369.77 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4e)-5-[(1r,2r,4as,5r,8r,8ar)-5-hydroxy-2-[(e)-3-hydroxy-1-methyl-prop-1-enyl]-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid
  • (2e,4e)-5-[(1r,2r,4as,5r,8r,8ar)-5-hydroxy-2-[(e)-3-hydroxy-1-methylprop-1-enyl]-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid
  • (2e,4e)-5-[(1r,2r,4as,5r,8r,8ar)-5-hydroxy-2-[(e)-4-hydroxybut-2-en-2-yl]-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid
InChIKey YGIXVFNOSSPFLR-RYAGCBDWSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O