Cas no 17435-78-8 (Cholesterol Glucuronide)

Cholesterol Glucuronide structure
Cholesterol Glucuronide structure
Product Name:Cholesterol Glucuronide
CAS No:17435-78-8
MF:C33H54O7
MW:562.777671337128
CID:186430
Update Time:2024-02-29

Cholesterol Glucuronide Chemical and Physical Properties

Names and Identifiers

    • b-D-Glucopyranosiduronic acid, (3b)-cholest-5-en-3-yl (9CI)
    • cholesterol glucuronide
    • (8xi,9xi,14xi,17xi)-cholest-5-en-3-yl beta-D-glucopyranosiduronic acid
    • 3-O-beta-D-Glucopyranuronosyl cholesterol
    • beta-D-Glucopyranosiduronic acid, (3beta)-cholest-5-en-3-yl
    • Cholest-5-en-3-yl hexopyranosiduronic acid
    • Cholesterol Glucuronide
    • Inchi: 1S/C33H54O7/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(13-15-32(20,4)25(22)14-16-33(23,24)5)39-31-28(36)26(34)27(35)29(40-31)30(37)38/h9,18-19,21-29,31,34-36H,6-8,10-17H2,1-5H3,(H,37,38)/t19-,21?,22?,23?,24?,25?,26+,27+,28-,29+,31-,32+,33-/m1/s1
    • InChI Key: IJLBJBCDNYOWPJ-WWDBQNETSA-N
    • SMILES: O([C@H]1[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O1)O)O)O)C1CC[C@@]2(C)C(C1)=CCC1C2CC[C@]2(C)C([C@H](C)CCCC(C)C)CCC21

Computed Properties

  • Exact Mass: 562.387
  • Monoisotopic Mass: 562.387
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 40
  • Rotatable Bond Count: 8
  • Complexity: 949
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 5
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 116

Experimental Properties

  • Density: 1.19
  • Boiling Point: 686.3°Cat760mmHg
  • Flash Point: 211.4°C
  • Refractive Index: 1.564

Cholesterol Glucuronide Pricemore >>

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