(4As,6Ar,8R,8As,8Br,9As,12S,12As,14Ar,14Br)-12-(3-Furyl)-8-Hydroxy-6,6,8A,12A-Tetramethyldecahydro-3H-Oxireno[D]Pyrano[4',3':3,3A][2]Benzofuro[5,4-F]Isochromene-3,7,10(8H,9Ah)-Trione

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Formula C26H30O9
IUPAC Name (4as,6ar,8r,8as,8br,9as,12s,12as,14ar,14br)-12-(3-furyl)-8-hydroxy-6,6,8a,12a-tetramethyldecahydro-3h-oxireno[d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromene-3,7,10(8h,9ah)-trione
Molecular Mass 486.511 g·mol−1
Heat of Formation -1279.2 ± 16.7 kJ·mol−1
Dipole Moment 4.32 ± 1.08 D
Volume 538.75 Å 3
Surface Area 399.15 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy 2.85 ± eV
Point Group Symmetry C1
Synonyms
  • rutaevin
CAS Number(s)
  • 33237-37-5
InChIKey YZMKFMIZNSOPSN-XGTMLCIVSA-N
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Elements H C O