D-erythro-Pentaric acid, 3-C-carboxy-2-deoxy-, 4-[3-(4-hydroxy-3-methoxyphenyl)-2-propenoate], (E)-

CAS Registry Number®

62345-86-2

CAS Name

D-erythro-Pentaric acid, 3-C-carboxy-2-deoxy-, 4-[3-(4-hydroxy-3-methoxyphenyl)-2-propenoate], (E)-

Molecular Formula

C16H16O11

Molecular Mass

384.29

Cite this Page

D-erythro-Pentaric acid, 3-C-carboxy-2-deoxy-, 4-[3-(4-hydroxy-3-methoxyphenyl)-2-propenoate], (E)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=62345-86-2 (retrieved 2025-03-15) (CAS RN: 62345-86-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H16O11/c1-26-10-6-8(2-4-9(10)17)3-5-12(20)27-13(14(21)22)16(25,15(23)24)7-11(18)19/h2-6,13,17,25H,7H2,1H3,(H,18,19)(H,21,22)(H,23,24)/b5-3+/t13-,16+/m1/s1

InChIKey

InChIKey=QAEWENIBBUMYIB-TWPIFRAZSA-N

SMILES

[C@@]([C@H](OC(/C=C/C1=CC(OC)=C(O)C=C1)=O)C(O)=O)(CC(O)=O)(C(O)=O)O

Canonical SMILES

O=C(OC(C(=O)O)C(O)(C(=O)O)CC(=O)O)C=CC1=CC=C(O)C(OC)=C1

Other Names for this Substance

  • D-erythro-Pentaric acid, 3-C-carboxy-2-deoxy-, 4-[3-(4-hydroxy-3-methoxyphenyl)-2-propenoate], (E)-
  • 2-O-trans-Feruloyl-(2S,3S)-hydroxycitric acid

CAS INSIGHTSTM
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