| Identification | Back Directory | [Name]
5α-[3-(4-Hydroxyphenyl)acryloyloxy]-1,3β,4α-trihydroxycyclohexane-1β-carboxylic acid | [CAS]
32451-86-8 | [Synonyms]
5-O-Coumaroylquinic acid
5-p-Coumaroyl quinic acid
5-O-p-Coumaroylquinic acid
5α-[3-(4-Hydroxyphenyl)acryloyloxy]-1,3β,4α-trihydroxycyclohexane-1β-carboxylic acid
1,3β,4α-Trihydroxy-5α-[3-(4-hydroxyphenyl)acryloyloxy]cyclohexane-1β-carboxylic acid
1β,4β,5α-Trihydroxy-3β-[[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 1,3,4-trihydroxy-5-[[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (1R,3R,4S,5R)- | [Molecular Formula]
C16H18O8 | [MOL File]
32451-86-8.mol | [Molecular Weight]
338.31 |
| Chemical Properties | Back Directory | [Melting point ]
195-199 °C(Solv: water (7732-18-5)) | [Boiling point ]
613.2±55.0 °C(Predicted) | [density ]
1.55±0.1 g/cm3(Predicted) | [storage temp. ]
2-8°C | [form ]
powder or crystals | [pka]
3.91±0.50(Predicted) | [color ]
white to off-white | [InChI]
InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/t11-,12-,14+,16-/m1/s1 | [InChIKey]
BMRSEYFENKXDIS-UHFFFAOYSA-N | [SMILES]
O=C(OC1CC(O)(C(=O)O)CC(O)C1O)C=CC2=CC=C(O)C=C2 |
| Hazard Information | Back Directory | [Uses]
5-O-p-Coumaroylquinic acid has garnered attention in pharmaceutical and nutraceutical industries due to its potential therapeutic applications. | [Definition]
ChEBI: 3-p-coumaroylquinic acid is a cinnamate ester obtained by formal condensation of the carboxy group of 4-coumaric acid with the 3-hydroxy group of quinic acid. It has a role as a metabolite. It is a cinnamate ester and a cyclitol carboxylic acid. It is functionally related to a (-)-quinic acid and a 4-coumaric acid. |
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| Company Name: |
Merck KGaA
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| Tel: |
21-20338288 |
| Website: |
www.sigmaaldrich.cn |
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