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
C15H14O11Molecular Mass
370.27Cite 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 ) (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