(9S,10S)-6,6,9-Trimethyl-3-Pentyl-7,8,9,10-Tetrahydro-6H-Benzo[C]Chromene-1,9,10-Triol

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Formula C21H30O4
IUPAC Name (9s,10s)-6,6,9-trimethyl-3-pentyl-8,10-dihydro-7h-benzo[c]chromene-1,9,10-triol
Molecular Mass 346.461 g·mol−1
Heat of Formation -843.9 ± 16.7 kJ·mol−1
Dipole Moment 0.86 ± 1.08 D
Volume 433.86 Å 3
Surface Area 369.96 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry C1
Synonyms
  • (9s,10s)-3-amyl-6,6,9-trimethyl-8,10-dihydro-7h-benzo[c]chromene-1,9,10-triol
  • (9s,10s)-6,6,9-trimethyl-3-pentyl-8,10-dihydro-7h-benzo[c]chromene-1,9,10-triol
  • 6h-dibenzo(b,d)pyran-1,9,10-triol, 7,8,9,10-tetrahydro-6,6,9-trimethyl-3-pentyl-, trans-
CAS Number(s)
  • 74184-29-5
InChIKey ZLYNXDIDWUWASO-FPOVZHCZSA-N
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