Cas no 55248-15-2 (1,3-Cyclohexanediol,4-methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R,2E,4R)-5-hydroxy-1,4,5-trimethyl-2-hexen-1-yl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-,(1R,5Z)-)

1,3-Cyclohexanediol,4-methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R,2E,4R)-5-hydroxy-1,4,5-trimethyl-2-hexen-1-yl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-,(1R,5Z)- structure
55248-15-2 structure
Product Name:1,3-Cyclohexanediol,4-methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R,2E,4R)-5-hydroxy-1,4,5-trimethyl-2-hexen-1-yl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-,(1R,5Z)-
CAS No:55248-15-2
MF:C28H44O3
MW:428.647169113159
CID:373407
PubChem ID:6437855
Update Time:2025-04-19

1,3-Cyclohexanediol,4-methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R,2E,4R)-5-hydroxy-1,4,5-trimethyl-2-hexen-1-yl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-,(1R,5Z)- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Cyclohexanediol,4-methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R,2E,4R)-5-hydroxy-1,4,5-trimethyl-2-hexen-1-yl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-,(1R,5Z)-
    • (1R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
    • 1,25-dihydroxyergocalciferol
    • (3R,5Z,7E,22E)-9,10-Secoergosta-5,7,10,22-tetraene-1,3,25-triol
    • 1,25-Dihydroxyvitamin D2
    • 1,3-cyclohexanediol, 4-methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R,2E,4S)-5-hydroxy-1,4,5-trimethyl-2-hexen-1-yl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,5Z)-
    • NotAvailable
    • 55248-15-2
    • 1,25-(OH)2D2
    • 9,10-Segoergosta-5,7,10(19),22-tetraene-1,3,25-triol, (3beta,5Z,7E,22E)-
    • SCHEMBL301082
    • Inchi： 1S/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19+,23-,24-,25+,26?,28-/m1/s1
    • InChI Key： ZGLHBRQAEXKACO-ZUDASBLMSA-N
    • SMILES： OC(C)(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3\C(=C)C(C[C@@H](C\3)O)O)/CCC[C@]12C

Computed Properties

  • Exact Mass: 428.329045
  • Monoisotopic Mass: 428.329045
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 5
  • Complexity: 758
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 3
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 60.7
  • XLogP3: 4.9

Experimental Properties

  • Density: 1.06
  • Boiling Point: 577.7°C at 760 mmHg
  • Flash Point: 242.5°C
  • Refractive Index: 1.554

1,3-Cyclohexanediol,4-methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R,2E,4R)-5-hydroxy-1,4,5-trimethyl-2-hexen-1-yl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-,(1R,5Z)- Related Literature

55248-15-2 (1,3-Cyclohexanediol,4-methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R,2E,4R)-5-hydroxy-1,4,5-trimethyl-2-hexen-1-yl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-,(1R,5Z)-) Related Products

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