(3S,4S,12S,13S)-3,4,12,13-Tetrahydrobenzo[K]Tetraphene-3,4,12,13-Tetrol

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Formula C22H18O4
IUPAC Name (3s,4s,12s,13s)-3,4,12,13-tetrahydronaphtho[5,6-b]phenanthrene-3,4,12,13-tetrol
Molecular Mass 346.376 g·mol−1
Heat of Formation -442.1 ± 16.7 kJ·mol−1
Dipole Moment 1.64 ± 1.08 D
Volume 391.48 Å 3
Surface Area 337.18 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -1.19 ± eV
Point Group Symmetry C1
Synonyms
  • (5s,6s,10s,11s)-5,6,10,11-tetrahydronaphtho[3,4-h]phenanthrene-5,6,10,11-tetrol
  • trans,trans-3,4:12,13-tetrahydroxy-3,4,12,13-tetrahydro-dibenz(a,h)anthracene
CAS Number(s)
  • 151910-75-7
InChIKey YQINXCSNGCDFCQ-CMOCDZPBSA-N
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