(3β,6β,13β,19Alpha)-3-Methoxy-1,2-Didehydrocrinan-6-Ol

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Properties Simple | Detailed

Formula C17H19NO4
IUPAC Name (3beta,6beta,13beta,19alpha)-3-methoxy-1,2-didehydrocrinan-6-ol
Molecular Mass 301.337 g·mol−1
Heat of Formation -421.8 ± 16.7 kJ·mol−1
Dipole Moment 2.88 ± 1.08 D
Volume 343.76 Å 3
Surface Area 292.94 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy 0.06 ± eV
Point Group Symmetry C1
Synonyms
  • ent-6beta-hydroxybuphanisine
InChIKey VCFGXYUXSWZFDE-GEMNNEOKSA-N
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