(5Xi)-12-Methoxyabieta-8(14),9(11),12-Trien-20-Oic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C21H30O3
IUPAC Name (4ar,10as)-6-methoxy-1,1-dimethyl-7-(1-methylethyl)-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
Molecular Mass 330.461 g·mol−1
Heat of Formation -678.5 ± 16.7 kJ·mol−1
Dipole Moment 1.07 ± 1.08 D
Volume 419.31 Å 3
Surface Area 338.38 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy 0.23 ± eV
Point Group Symmetry C1
InChIKey JIBLKUQZATYEIK-NQIIRXRSSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O