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

CAS Registry Number®

62345-87-3

CAS Name

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

Molecular Formula

C15H14O11

Molecular Mass

370.27

Cite this Page

D-erythro-Pentaric acid, 3-C-carboxy-2-deoxy-, 4-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate].   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=62345-87-3 (retrieved 2024-11-12) (CAS RN: 62345-87-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C15H14O11/c16-8-3-1-7(5-9(8)17)2-4-11(20)26-12(13(21)22)15(25,14(23)24)6-10(18)19/h1-5,12,16-17,25H,6H2,(H,18,19)(H,21,22)(H,23,24)

InChIKey

InChIKey=OUWOVSUGDPWIBY-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

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

CAS INSIGHTSTM
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