(+)-Cassaine

Molecule SVG Image

Properties Simple | Detailed

Formula C24H39NO4
IUPAC Name 2-(dimethylamino)ethyl (2e)-2-[(1r,4as,4br,7s,8ar,10as)-7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-1,3,4,4a,5,6,7,8a,9,10a-decahydrophenanthren-2-ylidene]acetate
Molecular Mass 405.571 g·mol−1
Heat of Formation -874.3 ± 16.7 kJ·mol−1
Dipole Moment 5.62 ± 1.08 D
Volume 524.39 Å 3
Surface Area 419.66 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy 0.18 ± eV
Point Group Symmetry C1
Synonyms
  • (2e)-2-[(1r,4as,4br,7s,8ar,10as)-7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-1,3,4,4a,5,6,7,8a,9,10a-decahydrophenanthren-2-ylidene]acetic acid 2-dimethylaminoethyl ester
  • (2e)-2-[(1r,4as,4br,7s,8ar,10as)-7-hydroxy-10-keto-1,4b,8,8-tetramethyl-1,3,4,4a,5,6,7,8a,9,10a-decahydrophenanthren-2-ylidene]acetic acid 2-dimethylaminoethyl ester
  • 2-dimethylaminoethyl (2e)-2-[(1r,4as,4br,7s,8ar,10as)-7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-1,3,4,4a,5,6,7,8a,9,10a-decahydrophenanthren-2-ylidene]acetate
  • 2-dimethylaminoethyl (2e)-2-[(1r,4as,4br,7s,8ar,10as)-7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-1,3,4,4a,5,6,7,8a,9,10a-decahydrophenanthren-2-ylidene]ethanoate
InChIKey GMHWATCMBXIANN-IOJUAHGHSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N