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

CAS Registry Number®

134476-92-9

CAS Name

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

Molecular Formula

C27H26O10

Molecular Mass

510.49

Cite this Page

5-Cyclohexene-1,2,3,4-tetrol, 5-[(benzoyloxy)methyl]-, 1,2,4-triacetate 3-benzoate, [1R-(1α,2β,3β,4α)]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=134476-92-9 (retrieved 2025-03-06) (CAS RN: 134476-92-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    118-119 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C27H26O10/c1-16(28)34-22-14-21(15-33-26(31)19-10-6-4-7-11-19)23(35-17(2)29)25(24(22)36-18(3)30)37-27(32)20-12-8-5-9-13-20/h4-14,22-25H,15H2,1-3H3/t22-,23+,24+,25-/m1/s1

InChIKey

InChIKey=UGMVPWAZGUPKPL-WSOYEBOPSA-N

SMILES

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

Canonical SMILES

O=C(OCC1=CC(OC(=O)C)C(OC(=O)C)C(OC(=O)C=2C=CC=CC2)C1OC(=O)C)C=3C=CC=CC3

Other Names for this Substance

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

CAS INSIGHTSTM
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