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

CAS Registry Number®

113532-12-0
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CAS Name

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

Molecular Formula

C21H20O7

Molecular Mass

384.38

Cite this Page

5-Cyclohexene-1,2,3,4-tetrol, 2-[(benzoyloxy)methyl]-, 4-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=113532-12-0 (retrieved 2024-09-19) (CAS RN: 113532-12-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    130-131 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C21H20O7/c22-17-12-11-16(28-20(25)15-9-5-2-6-10-15)18(23)21(17,26)13-27-19(24)14-7-3-1-4-8-14/h1-12,16-18,22-23,26H,13H2/t16-,17+,18+,21-/m0/s1

InChIKey

InChIKey=AWCUZBLYCWUTRL-OOSNJVJTSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

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