(6Abeta)-Tazettine

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Properties Simple | Detailed

Formula C18H21NO5
IUPAC Name (6abeta)-tazettine
Molecular Mass 331.363 g·mol−1
Heat of Formation -590.0 ± 16.7 kJ·mol−1
Dipole Moment 1.97 ± 1.08 D
Volume 375.23 Å 3
Surface Area 313.57 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-tazettine
  • 8h-[1,3]dioxolo[6,7][2]benzopyrano[3,4-c]indol-6a(3h)-ol, 4,4a,5,6-tetrahydro-3-methoxy-5-methyl-, (3s,4as,6ar,13bs)-
  • tazettine
CAS Number(s)
  • 507-79-9
InChIKey YLWAQARRNQVEHD-IEGACIPQSA-N
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