(3α,11R,13Beta,19α)-3-Methoxy-1,2-Didehydrocrinan-11-Ol

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Properties Simple | Detailed

Formula C17H19NO4
IUPAC Name (3alpha,11r,13beta,19alpha)-3-methoxy-1,2-didehydrocrinan-11-ol
Molecular Mass 301.337 g·mol−1
Heat of Formation -429.1 ± 16.7 kJ·mol−1
Dipole Moment 2.71 ± 1.08 D
Volume 340.97 Å 3
Surface Area 293.21 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.16 ± eV
Point Group Symmetry C1
Synonyms
  • 4abeta,5alpha,11balpha-crinan-12-ol, 1,2-didehydro-3alpha-methoxy-, (12s)- (8ci)
  • crinamin
  • crinan-11-ol, 1,2-didehydro-3-methoxy-, (3alpha,5alpha,11r,13beta,19alpha)- (9ci)
InChIKey YGPRSGKVLATIHT-SPOWBLRKSA-N
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