(8,11-Dihydroxy-2-{(2S,3S)-2-Methyl-3-[(1Z)-1-Propen-1-Yl]-2-Oxiranyl}-4,7,12-Trioxo-7,12-Dihydro-4H-Naphtho[2,3-H]Chromen-5-Yl)Acetic Acid

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Properties Simple | Detailed

Formula C25H18O9
IUPAC Name 2-[8,11-dihydroxy-2-[(2s,3s)-2-methyl-3-[(z)-prop-1-enyl]oxiran-2-yl]-4,7,12-trioxo-naphtho[2,3-h]chromen-5-yl]acetic acid
Molecular Mass 462.405 g·mol−1
Heat of Formation -1108.5 ± 16.7 kJ·mol−1
Dipole Moment 5.82 ± 1.08 D
Volume 497.99 Å 3
Surface Area 407.81 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -2.06 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[8,11-dihydroxy-2-[(2s,3s)-2-methyl-3-[(z)-prop-1-enyl]-2-oxiranyl]-4,7,12-trioxo-5-naphtho[3,2-h]chromenyl]acetic acid
  • 2-[8,11-dihydroxy-2-[(2s,3s)-2-methyl-3-[(z)-prop-1-enyl]oxiran-2-yl]-4,7,12-trioxo-naphtho[3,2-h]chromen-5-yl]acetic acid
  • 2-[8,11-dihydroxy-2-[(2s,3s)-2-methyl-3-[(z)-prop-1-enyl]oxiran-2-yl]-4,7,12-trioxo-naphtho[3,2-h]chromen-5-yl]ethanoic acid
  • 2-[8,11-dihydroxy-2-[(2s,3s)-2-methyl-3-[(z)-prop-1-enyl]oxiran-2-yl]-4,7,12-trioxonaphtho[3,2-h]chromen-5-yl]acetic acid
  • 2-[8,11-dihydroxy-4,7,12-triketo-2-[(2s,3s)-2-methyl-3-[(z)-prop-1-enyl]oxiran-2-yl]naphtho[3,2-h]chromen-5-yl]acetic acid
  • 4h-anthra(1,2-b)pyran-5-acetic acid, 7,12-dihydro-8,11-dihydroxy-2-(2-methyl-3-(1-propenyl)oxiranyl)-4,7,12-trioxo-, (2-alpha,3-alpha(z))-(+)-
  • antibiotic dc 116
  • sapurimycin
CAS Number(s)
  • 132609-35-9
  • 133021-37-1
InChIKey MAUMGBVGKFVQCP-NAVFIMFESA-N
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