(3α,11S,13Beta,19α)-3-[4-(2-Aminoethyl)Phenoxy]-1,2-Didehydrocrinan-11-Ol

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Properties Simple | Detailed

Formula C24H26N2O4
IUPAC Name (3alpha,11s,13beta,19alpha)-3-[4-(2-aminoethyl)phenoxy]-1,2-didehydrocrinan-11-ol
Molecular Mass 406.474 g·mol−1
Heat of Formation -327.0 ± 16.7 kJ·mol−1
Dipole Moment 1.31 ± 1.08 D
Volume 471.94 Å 3
Surface Area 405.19 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.26 ± eV
Point Group Symmetry C1
Synonyms
  • (3alpha,19alpha)-3-[4-(2-aminoethyl)phenoxy]-1,2-didehydrocrinan-11-ol
  • 3-[4'-(8'-aminoethyl)phenoxy]bulbispermine
  • 3h,6h-5,11b-ethano[1,3]dioxolo[4,5-j]phenanthridin-12-ol, 3-[4-(2-aminoethyl)phenoxy]-4,4a-dihydro-, (3r,11bs)-
InChIKey WMQYROIEIDIUPE-ABQRKTDGSA-N
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