Cas no 103305-10-8 (1,3-Cyclohexanediol,5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,2E,4S)-4,5-dihydroxy-4-(hydroxymethyl)-1,5-dimethyl-2-hexen-1-yl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-,(1R,3S,5Z)-)

1,3-Cyclohexanediol,5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,2E,4S)-4,5-dihydroxy-4-(hydroxymethyl)-1,5-dimethyl-2-hexen-1-yl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-,(1R,3S,5Z)- structure
103305-10-8 structure
Product Name:1,3-Cyclohexanediol,5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,2E,4S)-4,5-dihydroxy-4-(hydroxymethyl)-1,5-dimethyl-2-hexen-1-yl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-,(1R,3S,5Z)-
CAS No:103305-10-8
MF:C28H44O5
MW:460.645969390869
CID:185788
PubChem ID:6438960
Update Time:2025-04-19

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

Names and Identifiers

    • 1,3-Cyclohexanediol,5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,2E,4S)-4,5-dihydroxy-4-(hydroxymethyl)-1,5-dimethyl-2-hexen-1-yl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-,(1R,3S,5Z)-
    • (2S)-2-[(E,3R)-3-[(1R,3aS,4Z,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]but-1-enyl]-3-methylbutane-1,2,3-triol
    • 1,24,25,28-tetrahydroxyergocalciferol
    • 1,3-Cyclohexanediol,5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,2E,4S)-4,5-dihydroxy-4-(hydroxymethyl)-1,5-dimethyl-2-hexen-1-yl]octahydro
    • (1S,3R,5Z,7Z,22E)-9,10-secoergosta-5,7,10,22-tetraene-1,3,24,25,28-pentol
    • 1,24,25,28-Tetrahydroxyvitamin D2
    • 103305-10-8
    • Inchi： 1S/C28H44O5/c1-18(12-14-28(33,17-29)26(3,4)32)23-10-11-24-20(7-6-13-27(23,24)5)8-9-21-15-22(30)16-25(31)19(21)2/h8-9,12,14,18,22-25,29-33H,2,6-7,10-11,13,15-17H2,1,3-5H3/b14-12+,20-8-,21-9-/t18-,22-,23-,24+,25+,27-,28+/m1/s1
    • InChI Key： SANQIAQVFWELQI-SCSNUEKESA-N
    • SMILES： O[C@@](CO)(C(C)(C)O)/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: 460.318875g/mol
  • Monoisotopic Mass: 460.318875g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 6
  • Complexity: 824
  • 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
  • Molecular Weight: 460.6g/mol
  • XLogP3: 2.6
  • Topological Polar Surface Area: 101?2

Experimental Properties

  • Density: 1.16
  • Boiling Point: 655.3°Cat760mmHg
  • Flash Point: 278.1°C
  • Refractive Index: 1.58

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

103305-10-8 (1,3-Cyclohexanediol,5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,2E,4S)-4,5-dihydroxy-4-(hydroxymethyl)-1,5-dimethyl-2-hexen-1-yl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-,(1R,3S,5Z)-) Related Products

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