{12-Hydroxy-9-[(2Z)-3-Hydroxy-3-(2-Hydroxyphenyl)-2-Propenoyl]-10,11-Dimethoxy-3-(Methoxycarbonyl)-1-Oxo-1H-Naphtho[2,3-G]Isochromen-8-Yl}Acetic Acid

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Properties Simple | Detailed

Formula C32H24O12
IUPAC Name 2-[12-hydroxy-9-[(z)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-enoyl]-10,11-dimethoxy-3-methoxycarbonyl-1-oxo-naphtho[3,2-g]isochromen-8-yl]acetic acid
Molecular Mass 600.526 g·mol−1
Heat of Formation -1610.5 ± 16.7 kJ·mol−1
Dipole Moment 8.12 ± 1.08 D
Volume 639.43 Å 3
Surface Area 535.4 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy -1.50 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-anthra(2,3-c)pyran-8-acetic acid, 10,11-dimethoxy-12-hydroxy-9-(3-hydroxy-3-(2-hydroxyphenyl)-1-oxo-2-propenyl)-3-(methoxycarbonyl)-1-oxo-
  • 1h-anthra[2,3-c]pyran-8-acetic acid, 12-hydroxy-9-[(1z)-1-hydroxy-3-(2-hydroxyphenyl)-3-oxo-1-propenyl]-10,11-dimethoxy-3-(methoxycarbonyl)-1-oxo-
  • 2-[12-hydroxy-9-[(z)-3-hydroxy-3-(2-hydroxyphenyl)-1-oxoprop-2-enyl]-10,11-dimethoxy-3-methoxycarbonyl-1-oxo-8-naphtho[7,6-g]isochromenyl]acetic acid
  • 2-[12-hydroxy-9-[(z)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-enoyl]-10,11-dimethoxy-3-methoxycarbonyl-1-oxo-naphtho[7,6-g]isochromen-8-yl]acetic acid
  • 2-[12-hydroxy-9-[(z)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-enoyl]-10,11-dimethoxy-3-methoxycarbonyl-1-oxo-naphtho[7,6-g]isochromen-8-yl]ethanoic acid
  • 2-[12-hydroxy-9-[(z)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-enoyl]-10,11-dimethoxy-3-methoxycarbonyl-1-oxonaphtho[7,6-g]isochromen-8-yl]acetic acid
  • 2-[3-carbomethoxy-12-hydroxy-9-[(z)-3-hydroxy-3-(2-hydroxyphenyl)acryloyl]-1-keto-10,11-dimethoxy-naphtho[7,6-g]isochromen-8-yl]acetic acid
  • termorubin
  • thermorubin
  • thermorubin a
CAS Number(s)
  • 37577-75-6
  • 11006-83-0
InChIKey GGEDVBUCHDZLTH-MOSHPQCFSA-N
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