Nootkastatin 2

Molecule SVG Image

Properties Simple | Detailed

Formula C23H36O3
IUPAC Name (6s,7as,11as)-6-isopropoxy-4-isopropyl-8,8,11a-trimethyl-6,7,7a,9,10,11-hexahydrobenzo[d][1]benzoxepin-3-ol
Molecular Mass 360.530 g·mol−1
Heat of Formation -699.2 ± 16.7 kJ·mol−1
Dipole Moment 1.28 ± 1.08 D
Volume 465.82 Å 3
Surface Area 349.21 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy 0.46 ± eV
Point Group Symmetry C1
Synonyms
  • (6s,7as,11as)-6-isopropoxy-4-isopropyl-8,8,11a-trimethyl-6,7,7a,9,10,11-hexahydrobenzo[d][1]benzoxepin-3-ol
  • (6s,7as,11as)-8,8,11a-trimethyl-4-propan-2-yl-6-propan-2-yloxy-6,7,7a,9,10,11-hexahydrobenzo[d][1]benzoxepin-3-ol
InChIKey DQQSNOMAPLESJP-SFYKDHMMSA-N
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