Cas no 50305-81-2 (Cholesterol trans-Cinnamate)

Cholesterol trans-Cinnamate structure
Cholesterol trans-Cinnamate structure
Product Name:Cholesterol trans-Cinnamate
CAS No:50305-81-2
MF:C36H52O2
MW:516.796891212463
CID:933514
PubChem ID:6436898
Update Time:2025-04-19

Cholesterol trans-Cinnamate Chemical and Physical Properties

Names and Identifiers

    • Cholesterol trans-Cinnamate
    • cholesterol cinnamate
    • Cholesteryl-2-<2-aethoxy-aethoxy>-aethyl-carbonat
    • O-trans-Cinnamoyl-cholesterin
    • O-trans-cinnamoyl-cholesterol
    • trans-Cinnamic Acid Cholesterol Ester
    • AKOS025295384
    • Cholest-5-en-3-ol (3beta)-, 3-(3-phenyl-2-propenoate)
    • 50305-81-2
    • (E)-3.beta.-(3-Phenylpropenoyloxy)cholest-5-ene
    • SCHEMBL162272
    • EINECS 217-869-9
    • W-107660
    • SCHEMBL162269
    • 1990-11-0
    • DTXSID401014583
    • 5-Cholesten-3.beta.-ol cinnamate
    • Cholest-5-en-3-yl (2E)-3-phenyl-2-propenoate #
    • Cholesteryl cinnamate
    • [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-3-phenylprop-2-enoate
    • Cholest-5-en-3-beta-yl cinnamate
    • Cholest-5-en-3-ol (3.beta.)-, 3-phenyl-2-propenoate
    • NS00045438
    • MDL: MFCD00021141
    • Inchi: 1S/C36H52O2/c1-25(2)10-9-11-26(3)31-17-18-32-30-16-15-28-24-29(38-34(37)19-14-27-12-7-6-8-13-27)20-22-35(28,4)33(30)21-23-36(31,32)5/h6-8,12-15,19,25-26,29-33H,9-11,16-18,20-24H2,1-5H3/b19-14+/t26-,29+,30+,31-,32+,33+,35+,36-/m1/s1
    • InChI Key: FESYLMLHRKCTFF-MFLJIVHPSA-N
    • SMILES: O(C(/C=C/C1C=CC=CC=1)=O)[C@H]1CC[C@@]2(C)C(C1)=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]21

Computed Properties

  • Exact Mass: 516.39700
  • Monoisotopic Mass: 516.397
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 38
  • Rotatable Bond Count: 9
  • Complexity: 878
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 26.3A^2
  • XLogP3: 11.2

Experimental Properties

  • Density: 1.03
  • Boiling Point: 595.9°Cat760mmHg
  • Flash Point: 250.3°C
  • Refractive Index: 1.551
  • PSA: 26.30000
  • LogP: 9.65300
  • Vapor Pressure: 0.0±1.7 mmHg at 25°C

Cholesterol trans-Cinnamate Security Information

Cholesterol trans-Cinnamate Pricemore >>

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