Cas no 69977-26-0 (26,27-Dinorergostan-3-ol,(3b,5a)- (9CI))

26,27-Dinorergostan-3-ol,(3b,5a)- (9CI) structure
69977-26-0 structure
Product Name:26,27-Dinorergostan-3-ol,(3b,5a)- (9CI)
CAS No:69977-26-0
MF:C26H46O
MW:374.642848491669
CID:520544
PubChem ID:11360853
Update Time:2024-03-01

26,27-Dinorergostan-3-ol,(3b,5a)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 26,27-Dinorergostan-3-ol,(3b,5a)- (9CI)
    • 24-Nor-5a-cholestan-3b-ol
    • Halostanol
    • 26,27-Dinorergostan-3-ol, (3β,5α)-
    • Inchi: 1S/C26H46O/c1-17(2)6-7-18(3)22-10-11-23-21-9-8-19-16-20(27)12-14-25(19,4)24(21)13-15-26(22,23)5/h17-24,27H,6-16H2,1-5H3/t18-,19+,20+,21+,22-,23+,24+,25+,26-/m1/s1
    • InChI Key: ZQDSXDIYKPVJHY-DRYQTVNKSA-N
    • SMILES: O[C@H]1CC[C@@]2(C)[C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCC(C)C)CC[C@H]21

Computed Properties

  • Exact Mass: 374.354866087g/mol
  • Monoisotopic Mass: 374.354866087g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 4
  • Complexity: 526
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 8.8
  • Topological Polar Surface Area: 20.2?2
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