(1α,3α,4α,5β)-1,3,5-Trihydroxy-4-[[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]cyclohexanecarboxylic acid

CAS Registry Number®

93451-44-6

CAS Name

(1α,3α,4α,5β)-1,3,5-Trihydroxy-4-[[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]cyclohexanecarboxylic acid

Molecular Formula

C16H18O8

Molecular Mass

338.31

Cite this Page

(1α,3α,4α,5β)-1,3,5-Trihydroxy-4-[[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]cyclohexanecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=93451-44-6 (retrieved 2024-11-08) (CAS RN: 93451-44-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/t11-,12-,14-,16+/s2

InChIKey

InChIKey=XWRHBGVVCOSNKO-FUCWFWBCNA-N

SMILES

C(O)(=O)[C@@]1(O)C[C@H](O)[C@H](OC(C=CC2=CC=C(O)C=C2)=O)[C@@H](O)C1

Canonical SMILES

O=C(OC1C(O)CC(O)(C(=O)O)CC1O)C=CC2=CC=C(O)C=C2

Other Names for this Substance

  • Cyclohexanecarboxylic acid, 1,3,5-trihydroxy-4-[[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]-, (1α,3α,4α,5β)-
  • (1α,3α,4α,5β)-1,3,5-Trihydroxy-4-[[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]cyclohexanecarboxylic acid

Deleted or Replaced CAS Registry Numbers

115833-82-4

CAS INSIGHTSTM
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