Cas no 95270-41-0 (1,3-Cyclohexanediol,4-methylene-5-[(2E)-2-[octahydro-1-[(1R,2E,4R)-4-hydroxy-1,5-dimethyl-2-hexen-1-yl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-,(1R,3S,5Z)-)

1,3-Cyclohexanediol,4-methylene-5-[(2E)-2-[octahydro-1-[(1R,2E,4R)-4-hydroxy-1,5-dimethyl-2-hexen-1-yl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-,(1R,3S,5Z)- structure
95270-41-0 structure
Product Name:1,3-Cyclohexanediol,4-methylene-5-[(2E)-2-[octahydro-1-[(1R,2E,4R)-4-hydroxy-1,5-dimethyl-2-hexen-1-yl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-,(1R,3S,5Z)-
CAS No:95270-41-0
MF:C27H42O3
MW:414.620588779449
CID:807294
PubChem ID:5283693
Update Time:2025-04-19

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

Names and Identifiers

    • 1,3-Cyclohexanediol,4-methylene-5-[(2E)-2-[octahydro-1-[(1R,2E,4R)-4-hydroxy-1,5-dimethyl-2-hexen-1-yl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-,(1R,3S,5Z)-
    • (1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aS)-1-[(E,2R,5R)-5-hydroxy-6-methylhept-3-en-2-yl]-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-5-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
    • 1,24-dihydroxy-22-dehydrovitamin D3
    • 95270-41-0
    • (22E)-(24R)-1alpha,24-dihydroxy-22,23-didehydrovitamin D3 / (22E)-(24R)-1alpha,24-dihydroxy-22,23-didehydrocholecalciferol
    • 1,24-OH-22-DH-D3
    • (5Z,7E,22E)-(1S,3R,24R)-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,24-triol
    • 1,24-Dihydroxy-22-dehydrocholecalciferol
    • LMST03020168
    • (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5-hydroxy-6-methylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
    • Inchi： 1S/C27H42O3/c1-17(2)25(29)13-8-18(3)23-11-12-24-20(7-6-14-27(23,24)5)9-10-21-15-22(28)16-26(30)19(21)4/h8-10,13,17-18,22-26,28-30H,4,6-7,11-12,14-16H2,1-3,5H3/b13-8+,20-9+,21-10-/t18-,22-,23-,24+,25+,26+,27-/m1/s1
    • InChI Key： UBJWUTCRXGEEAN-VOILRYRGSA-N
    • SMILES： O[C@H](C(C)C)/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3\C(=C)[C@H](C[C@@H](C\3)O)O)/CCC[C@]12C

Computed Properties

  • Exact Mass: 414.313395
  • Monoisotopic Mass: 414.313395
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 5
  • Complexity: 716
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 3
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 60.7
  • XLogP3: 4.9

Experimental Properties

  • Density: 1.07
  • Boiling Point: 568.4°C at 760 mmHg
  • Flash Point: 241.2°C
  • Refractive Index: 1.556

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

95270-41-0 (1,3-Cyclohexanediol,4-methylene-5-[(2E)-2-[octahydro-1-[(1R,2E,4R)-4-hydroxy-1,5-dimethyl-2-hexen-1-yl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-,(1R,3S,5Z)-) Related Products

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