((1R,2S,5R,6S)-5-(Benzoyloxy)-1,2,6-trihydroxycyclohex-3-en-1-yl)methyl Benzoate | CAS No. 78804-17-8

((1R,2S,5R,6S)-5-(Benzoyloxy)-1,2,6-trihydroxycyclohex-3-en-1-yl)methyl Benzoate

Basic Information

CAS Number

78804-17-8

Molecular Formula

C21H20O7

Molecular Weight

384.4 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

131-132 ºC

Boiling Point

549.615°C at 760 mmHg

Density

1.41

Flash Point

192.395°C

Refractive Index

1.636

C1=CC=C(C=C1)C(=O)OCC2(C(C=CC(C2O)OC(=O)C3=CC=CC=C3)O)O

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-/m1/s1

InChIKey

AWCUZBLYCWUTRL-OEMYIYORSA-N

LogP

1.0916999999999997

Topological Polar Surface Area

113.29000000000002 Ų

Hydrogen Bond Donor/Acceptor

3 / 7

Complexity

577

Synonyms & References

English

  • ZEYLENOL
  • AKOS016010698
  • ((1R,2S,5R,6S)-5-(Benzoyloxy)-1,2,6-trihydroxycyclohex-3-en-1-yl)methyl benzoate
  • [(1R,2S,5R,6S)-5-benzoyloxy-1,2,6-trihydroxycyclohex-3-en-1-yl]methyl benzoate
  • A864959
  • HY-N2052
  • 5-Cyclohexene-1,2,3,4-tetrol, 2-[(benzoyloxy)methyl]-, 4-benzoate, (1S,2R,3S,4R)-
  • 5-Cyclohexene-1,2,3,4-tetrol, 2-[(benzoyloxy)methyl]-, 4-benzoate, [1S-(1alpha,2beta,3beta,4alpha)]-
  • 78804-17-8
  • UVM7L54PBC
  • (-)-Zeylenol
  • DTXSID70451085
  • ((1R,2S,5R,6S)-5-(Benzoyloxy)-1,2,6-trihydroxycyclo-hex-3-en-1-yl)methyl benzoate
  • Zeylenol, (-)-
  • MFCD23701743
  • (1R,4S,5R,6S)-5-[(Benzoyloxy)methyl]-4,5,6-trihydroxycyclohex-2-en-1-yl benzoate
  • CHEMBL4469789
  • CS-0018541
  • 5-Cyclohexene-1,2,3,4-tetrol,2-[(benzoyloxy)methyl]-, 4-benzoate, (1S,2R,3S,4R)-
  • Zeylenol
  • (1S,2R,3S,4R)-2-[(Benzoyloxy)methyl]-5-cyclohexene-1,2,3,4-tetrol 4-benzoate
  • ((1R,2S,5R,6S)-5-(Benzoyloxy)-1,2,6-trihydroxycyclohex-3-en-1-yl)met

MDL Number

MFCD23701743

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