(R)-(+)-Rosmarinic Acid

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Properties Simple | Detailed

Formula C18H16O8
IUPAC Name (2r)-3-(3,4-dihydroxyphenyl)-2-[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-propanoic acid
Molecular Mass 360.315 g·mol−1
Heat of Formation -1202.9 ± 16.7 kJ·mol−1
Dipole Moment 1.75 ± 1.08 D
Volume 407.03 Å 3
Surface Area 341.79 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-3-(3,4-dihydroxyphenyl)-2-[(e)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]propanoic acid
  • (2r)-3-(3,4-dihydroxyphenyl)-2-[(e)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-propionic acid
  • (2r)-3-(3,4-dihydroxyphenyl)-2-[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-propanoic acid
  • (2r)-3-(3,4-dihydroxyphenyl)-2-[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid
  • (2r)-3-(3,4-dihydroxyphenyl)-2-[3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]propanoic acid
  • (2r)-3-(3,4-dihydroxyphenyl)-2-[3-(3,4-dihydroxyphenyl)acryloyl]oxy-propionic acid
  • (r)-o-(3,4-dihydroxycinnamoyl)-3-(3,4- dihydroxyphenyl)lactic acid
  • 20283-92-5 (free acid)
  • 3,4-dihydroxycinnamic acid (r)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl ester
  • 537-15-5 (rosmarinate)
  • acon1_001068
  • benzenepropanoic acid, .alpha.-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-3,4-dihydroxy-, (r-(e))-
  • benzenepropanoic acid, .alpha.-[[(2e)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-3,4-dihydroxy-, (.alpha.r)-
  • megxp0_000163
  • rosmarimic acid
  • rosmarinic acid
  • smp1_000245
CAS Number(s)
  • 20283-92-5
InChIKey DOUMFZQKYFQNTF-WUTVXBCWSA-N
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