Rosmarinic acid, CAS No. 20283-92-5

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Rosmarinic acid CAS No.20283-92-5 / Cat No.EBD2138586

Formula: C18H16O8

Molecular Weight:360.31

Synonyms:

Rosemarinic acid

(R)-alpha-[3-(3,4-Dihydroxyphenyl)-1-oxo-2E-propenyl]oxy-3,4-dihydroxybenzenepropanoic acid

(2S)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid

(2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid

3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid

Rosmarinic acid

(R)-alpha-[3-(3,4-Dihydroxyphenyl)-1-oxo-2E-propenyl]oxy-3,4-dihydroxybenzenepropanoic acid

(2S)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid

(2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid

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Properties
Safety Information
NMR Spectrum

Properties

Appearance:

Brown fine powder
Density:

1.33
Melting point:

171-175 °C(lit.)
Boiling point:

694.7 °C at 760 mmHg
Flashing point:

254.5 °C
Storage temperature:

2-8°C

Safety Information

Symbol:
Signal words:

Danger
Hazard statements:

H301 Toxic if swalloed.

H400 Very toxic to aquatic life.
Precautionary statements:

P273 Avoid release to the environment.

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

NMR Spectrum

Prediction： 1H NMR (500 MHz, MeOH-d4) delta ppm 3.00 (dd, J=14.31, 8.44 Hz, 1 H) 3.09 (dd, J=14.43, 4.16 Hz, 1 H) 5.18 (dd, J=8.44, 4.28 Hz, 1 H) 6.26 (d, J=15.65 Hz, 1 H) 6.61 (dd, J=7.95, 1.83 Hz, 1 H) 6.70 (d, J=7.83 Hz, 1 H) 6.75 (d, J=1.71 Hz, 1 H) 6.78 (d, J=8.07 Hz, 1 H) 6.95 (dd, J=8.31, 1.96 Hz, 1 H) 7.04 (d, J=1.96 Hz, 1 H) 7.55 (d, J=15.90 Hz, 1 H)

¹H NMR

¹³C NMR