Abalyn

Molecule SVG Image

Properties Simple | Detailed

Formula C21H32O2
IUPAC Name methyl (1r,4ar,4br,10ar)-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
Molecular Mass 316.478 g·mol−1
Heat of Formation -491.4 ± 16.7 kJ·mol−1
Dipole Moment 2.31 ± 1.08 D
Volume 416.21 Å 3
Surface Area 341.62 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy 0.60 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,4ar,4br,10ar)-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid methyl ester
  • 1-phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1r-(1.alpha.,4a.beta.,4b.alpha.,10a.alpha.)]-
  • abietic acid, methyl ester
  • methyl (1r,4ar,4br,10ar)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
  • methyl (1r,4ar,4br,10ar)-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
  • methyl 7,13-abietadien-18-oate
  • methyl abietate
  • methyl ester of wood rosin
  • podocarpa-7,13-dien-15-oic acid, 13-isopropyl-, methyl ester
  • wood rosin, methyl ester
CAS Number(s)
  • 127-25-3
InChIKey OVXRPXGVKBHGQO-UYWIDEMCSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O