(2R)-3-(3,4-Dihydroxyphenyl)-2-{[(2E)-3-{2-[(E)-2-(3,4-Dihydroxyphenyl)Vinyl]-3,4-Dihydroxyphenyl}-2-Propenoyl]Oxy}Propanoic Acid

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Properties Simple | Detailed

Formula C26H16O10
IUPAC Name carbon dioxide; 2-(3,4-dioxocyclohexa-1,5-dien-1-yl)acetaldehyde; (3z)-3-[(2z)-2-[(2z)-5,6-dioxo-2-(3-oxoprop-2-enylidene)cyclohex-3-en-1-ylidene]ethylidene]hexa-1,5-diyne-1,6-diolate
Molecular Mass 488.399 g·mol−1
Heat of Formation -1435.5 ± 16.7 kJ·mol−1
Dipole Moment 1.19 ± 1.08 D
Volume 563.1 Å 3
Surface Area 479.54 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -1.32 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-3-(3,4-dihydroxyphenyl)-2-[(e)-3-[2-[(e)-2-(3,4-dihydroxyphenyl)ethenyl]-3,4-dihydroxy-phenyl]prop-2-enoyl]oxy-propanoic acid
  • (2r)-3-(3,4-dihydroxyphenyl)-2-[(e)-3-[2-[(e)-2-(3,4-dihydroxyphenyl)ethenyl]-3,4-dihydroxyphenyl]prop-2-enoyl]oxypropanoic acid
  • (2r)-3-(3,4-dihydroxyphenyl)-2-[(e)-3-[2-[(e)-2-(3,4-dihydroxyphenyl)vinyl]-3,4-dihydroxy-phenyl]acryloyl]oxy-propionic acid
  • (2r)-3-(3,4-dihydroxyphenyl)-2-[(e)-3-[2-[(e)-2-(3,4-dihydroxyphenyl)vinyl]-3,4-dihydroxy-phenyl]prop-2-enoyl]oxy-propanoic acid
  • (2r)-3-(3,4-dihydroxyphenyl)-2-[(e)-3-[2-[(e)-2-(3,4-dihydroxyphenyl)vinyl]-3,4-dihydroxyphenyl]-1-oxoprop-2-enoxy]propanoic acid
  • benzenepropanoic acid, alpha-((3-(2-(2-(3,4-dihydroxyphenyl)ethenyl)-3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-3,4-dihydroxy-, (r-(e,e))-
  • salvianolic acid a
CAS Number(s)
  • 96574-01-5
InChIKey YMGFTDKNIWPMGF-UCPJVGPRSA-N
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