Cas no 68165-57-1 (4-CHOLESTEN-3-ONE-4-13C)

4-CHOLESTEN-3-ONE-4-13C structure
4-CHOLESTEN-3-ONE-4-13C structure
Product Name:4-CHOLESTEN-3-ONE-4-13C
CAS No:68165-57-1
MF:C27H44O
MW:385.630323410034
CID:969333
PubChem ID:102602314
Update Time:2025-04-19

4-CHOLESTEN-3-ONE-4-13C Chemical and Physical Properties

Names and Identifiers

    • 4-CHOLESTEN-3-ONE-4-13C
    • CS-0437800
    • 68165-57-1
    • HY-113365S1
    • MS-26361
    • (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
    • F90641
    • Cholestenone-13C
    • DB-324973
    • Inchi: 1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1/i17+1
    • InChI Key: NYOXRYYXRWJDKP-HLMQNULZSA-N
    • SMILES: O=C1[13CH]=C2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]43)[C@@]2(C)CC1

Computed Properties

  • Exact Mass: 385.342570858g/mol
  • Monoisotopic Mass: 385.342570858g/mol
  • Isotope Atom Count: 1
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 5
  • Complexity: 630
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 8.4
  • Topological Polar Surface Area: 17.1?2

4-CHOLESTEN-3-ONE-4-13C Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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