5-Cyclohexene-1,2,3,4-tetrol, 5-[(benzoyloxy)methyl]-, 3-benzoate, (1R,2S,3R,4S)-

CAS Registry Number®

134476-89-4

CAS Name

5-Cyclohexene-1,2,3,4-tetrol, 5-[(benzoyloxy)methyl]-, 3-benzoate, (1R,2S,3R,4S)-

Molecular Formula

C21H20O7

Molecular Mass

384.38

Cite this Page

5-Cyclohexene-1,2,3,4-tetrol, 5-[(benzoyloxy)methyl]-, 3-benzoate, (1R,2S,3R,4S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=134476-89-4 (retrieved 2024-12-04) (CAS RN: 134476-89-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    48-49 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C21H20O7/c22-16-11-15(12-27-20(25)13-7-3-1-4-8-13)17(23)19(18(16)24)28-21(26)14-9-5-2-6-10-14/h1-11,16-19,22-24H,12H2/t16-,17+,18+,19-/m1/s1

InChIKey

InChIKey=ZOJARMGZFXZIBH-YDZRNGNQSA-N

SMILES

O(C(=O)C1=CC=CC=C1)[C@@H]2[C@@H](O)C(COC(=O)C3=CC=CC=C3)=C[C@@H](O)[C@@H]2O

Canonical SMILES

O=C(OCC1=CC(O)C(O)C(OC(=O)C=2C=CC=CC2)C1O)C=3C=CC=CC3

Other Names for this Substance

  • 5-Cyclohexene-1,2,3,4-tetrol, 5-[(benzoyloxy)methyl]-, 3-benzoate, (1R,2S,3R,4S)-
  • 5-Cyclohexene-1,2,3,4-tetrol, 5-[(benzoyloxy)methyl]-, 3-benzoate, [1R-(1α,2β,3β,4α)]-
  • Piperenol A
  • (+)-Piperenol A

CAS INSIGHTSTM
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