Cas no 66514-00-9 (Z-Oxime-Cholest-4-en-3-one, 9CI)

Z-Oxime-Cholest-4-en-3-one, 9CI structure
66514-00-9 structure
Product Name:Z-Oxime-Cholest-4-en-3-one, 9CI
CAS No:66514-00-9
MF:C27H45NO
MW:399.652308225632
CID:2072466
PubChem ID:21763506
Update Time:2025-04-21

Z-Oxime-Cholest-4-en-3-one, 9CI Chemical and Physical Properties

Names and Identifiers

    • Z-Oxime-Cholest-4-en-3-one, 9CI
    • Olesoxime, Z-
    • QNTASHOAVRSLMD-FCARAQADSA-
    • (NZ)-N-[(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-ylidene]hydroxylamine
    • AKOS005145744
    • SCHEMBL1010552
    • cholest-4-en-3-one, oxime
    • Q27271076
    • EN300-658773
    • Cholest-4-en-3-one, oxime, (3E)-
    • 66514-00-9
    • TRO 19622;NSC 21311
    • InChI=1/C27H45NO/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28-29)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25,29H,6-16H2,1-5H3/b28-21-/t19-,22+,23-,24+,25+,26+,27-/m1/s1
    • UNII-I2QN18P645
    • 896-756-1
    • Cholest-4-en-3-one, oxime, (3Z)-
    • I2QN18P645
    • Z2857553126
    • Olesoxime
    • (NE)-N-[10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]hydroxylamine
    • 22033-87-0
    • E-olesoxime
    • N-((1R,3aS,3bS,9aR,9bS,11aR)-9a,11a-dimethyl-1-((2R)-6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta(a)phenanthren-7-ylidene)hydroxylamine
    • TRO 19622
    • N-[(1R,3aS,3bS,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ylidene]hydroxylamine
    • Inchi: 1S/C27H45NO/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28-29)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25,29H,6-16H2,1-5H3
    • InChI Key: QNTASHOAVRSLMD-UHFFFAOYSA-N
    • SMILES: CC(CCCC(C1C2(C(C3C(CC2)C2(C(=CC(=NO)CC2)CC3)C)CC1)C)C)C

Computed Properties

  • Exact Mass: 399.350115059Da
  • Monoisotopic Mass: 399.350115059Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 5
  • Complexity: 663
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 8.8
  • Topological Polar Surface Area: 32.6?2
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