(1S,2S,3R,7S,10S,18S)-3,7,13,18-Tetrahydroxy-5-Methyl-19-Oxapentacyclo[8.8.1.0~1,10~.0~2,7~.0~12,17~]Nonadeca-4,12,14,16-Tetraen-11-One

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Properties Simple | Detailed

Formula C19H20O6
IUPAC Name (1s,2s,3r,7s,10s,18s)-3,7,13,18-tetrahydroxy-5-methyl-19-oxapentacyclo[8.8.1.0 1,10 .0 2,7 .0 12,17 ]nonadeca-4,12,14,16-tetraen-11-one
Molecular Mass 344.359 g·mol−1
Heat of Formation -901.7 ± 16.7 kJ·mol−1
Dipole Moment 3.34 ± 1.08 D
Volume 379.71 Å 3
Surface Area 314.58 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • 6a,12a-epoxybenz(a)anthracen-7(12h)-one, 1,4,4a,5,6,12b-hexahydro-1,4a,8,12-tetrahydroxy-3-methyl-, (1-alpha,4a-alpha,6a-alpha,12-alpha,12a-alpha,12b-alpha)-(+)-
  • antibiotic sf 2315b
  • sf 2315b
CAS Number(s)
  • 114687-53-5
InChIKey NBYHQGUHGIZCKV-BAZRMLRRSA-N
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