(3α)-3,7-Dimethoxy-1,2-Didehydrocrinan

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Properties Simple | Detailed

Formula C18H21NO4
IUPAC Name (3alpha)-3,7-dimethoxy-1,2-didehydrocrinan
Molecular Mass 315.364 g·mol−1
Heat of Formation -395.6 ± 16.7 kJ·mol−1
Dipole Moment 2.81 ± 1.08 D
Volume 361.31 Å 3
Surface Area 309.32 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy 0.13 ± eV
Point Group Symmetry C1
Synonyms
  • buphandrin
  • buphanidrin b678018k239
CAS Number(s)
  • 1162-10-3
InChIKey RNEXSBPDDRJJIY-BKGUAONASA-N
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