Dehydro-6-Sulfoabietic Acid

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Formula C20H28O5S
IUPAC Name (1r,4as,10ar)-7-isopropyl-1,4a-dimethyl-6-sulfo-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
Molecular Mass 380.498 g·mol−1
Heat of Formation -1044.5 ± 16.7 kJ·mol−1
Dipole Moment 4.11 ± 1.08 D
Volume 443.67 Å 3
Surface Area 358.6 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,4as,10ar)-1,4a-dimethyl-7-propan-2-yl-6-sulfo-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
  • (1r,4as,10ar)-7-isopropyl-1,4a-dimethyl-6-sulfo-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
  • 13-isopropyl-12-sulfopodocarpa-8,11,13-trien-15-oic acid
  • ecabet
CAS Number(s)
  • 33159-27-2
InChIKey IWCWQNVIUXZOMJ-MISYRCLQSA-N
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