Cas no 141300-55-2 (21-Nor-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol,(1a,3b,5Z,7E)- (9CI))

21-Nor-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol,(1a,3b,5Z,7E)- (9CI) structure
141300-55-2 structure
Product Name:21-Nor-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol,(1a,3b,5Z,7E)- (9CI)
CAS No:141300-55-2
MF:C26H42O3
MW:402.609888553619
CID:150012
PubChem ID:6438742
Update Time:2025-04-19

21-Nor-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol,(1a,3b,5Z,7E)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 21-Nor-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol,(1a,3b,5Z,7E)- (9CI)
    • (1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aR)-1-(4-hydroxy-4-methylpentyl)-3a,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
    • (1R,3S,5Z)-5-{(2E)-2-[(1S,3aS,7aR)-1-(4-hydroxy-4-methylpentyl)-3a,7a-dimethyloctahydro-4H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol (non-preferred name)
    • 1,25-(OH)2-Nord3
    • 1,25-Dihydroxy-21-norvitamin D3
    • 21-Nor-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol, (1alpha,3beta,5Z,7E)-
    • 141300-55-2
    • Inchi： 1S/C26H42O3/c1-18-19(16-22(27)17-23(18)28)10-11-20-9-7-14-25(4)21(12-15-26(20,25)5)8-6-13-24(2,3)29/h10-11,21-23,27-29H,1,6-9,12-17H2,2-5H3/b19-10-,20-11+/t21-,22+,23-,25+,26-/m0/s1
    • InChI Key： CWCCPPGYDPQNEF-XMPYMTSYSA-N
    • SMILES： OC(C)(C)CCC[C@H]1CC[C@@]2(C)/C(=C/C=C3\C(=C)[C@H](C[C@@H](C\3)O)O)/CCC[C@@]21C

Computed Properties

  • Exact Mass: 402.31339520g/mol
  • Monoisotopic Mass: 402.31339520g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 5
  • Complexity: 688
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.8
  • Topological Polar Surface Area: 60.7?2

21-Nor-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol,(1a,3b,5Z,7E)- (9CI) Related Literature

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