Cas no 14124-56-2 (1H-Benz[e]indene-6,7-diethanol,3-[(1R)-1,5-dimethylhexyl]dodecahydro-3a,6-dimethyl-,(3R,3aR,5aS,6S,7S,9aR,9bS)-)

1H-Benz[e]indene-6,7-diethanol,3-[(1R)-1,5-dimethylhexyl]dodecahydro-3a,6-dimethyl-,(3R,3aR,5aS,6S,7S,9aR,9bS)- structure
14124-56-2 structure
Product Name:1H-Benz[e]indene-6,7-diethanol,3-[(1R)-1,5-dimethylhexyl]dodecahydro-3a,6-dimethyl-,(3R,3aR,5aS,6S,7S,9aR,9bS)-
CAS No:14124-56-2
MF:C27H50O2
MW:406.684709072113
CID:206932
PubChem ID:3082055
Update Time:2025-04-19

1H-Benz[e]indene-6,7-diethanol,3-[(1R)-1,5-dimethylhexyl]dodecahydro-3a,6-dimethyl-,(3R,3aR,5aS,6S,7S,9aR,9bS)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Benz[e]indene-6,7-diethanol,3-[(1R)-1,5-dimethylhexyl]dodecahydro-3a,6-dimethyl-,(3R,3aR,5aS,6S,7S,9aR,9bS)-
    • 2,3-secocholestane-2,3-diol
    • 2-[(3R,3aR,5aS,6S,7S,9aR,9bS)-6-(2-hydroxyethyl)-3a,6-dimethyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-7-yl]ethanol
    • 2,2'-{(3R,3aR,5aS,6S,7S,9aR,9bS)-3-[(1R)-1,5-dimethylhexyl]-3a,6-dimethyldodecahydro-1H-cyclopenta[a]naphthalene-6,7-diyl}diethanol
    • 2,3-Scd
    • 2,3-Secocholestane-2,3-diol, (5beta)-
    • 14124-56-2
    • 2,2'-[3a,6-Dimethyl-3-(6-methylheptan-2-yl)dodecahydro-1H-cyclopenta[a]naphthalene-6,7-diyl]di(ethan-1-ol)
    • DTXSID80931040
    • Inchi： 1S/C27H50O2/c1-19(2)7-6-8-20(3)23-11-12-24-22-10-9-21(14-17-28)26(4,16-18-29)25(22)13-15-27(23,24)5/h19-25,28-29H,6-18H2,1-5H3/t20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
    • InChI Key： MYDRWTVVYQCTQX-CJPSHIORSA-N
    • SMILES： OCC[C@@]1(C)[C@H](CCO)CC[C@@H]2[C@@H]1CC[C@]1(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]12

Computed Properties

  • Exact Mass: 406.381
  • Monoisotopic Mass: 406.381
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 9
  • Complexity: 517
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 8.5
  • Topological Polar Surface Area: 40.5?2

Experimental Properties

  • Density: 0.943
  • Boiling Point: 500.8°C at 760 mmHg
  • Flash Point: 203.4°C
  • Refractive Index: 1.487

1H-Benz[e]indene-6,7-diethanol,3-[(1R)-1,5-dimethylhexyl]dodecahydro-3a,6-dimethyl-,(3R,3aR,5aS,6S,7S,9aR,9bS)- Related Literature

14124-56-2 (1H-Benz[e]indene-6,7-diethanol,3-[(1R)-1,5-dimethylhexyl]dodecahydro-3a,6-dimethyl-,(3R,3aR,5aS,6S,7S,9aR,9bS)-) Related Products

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