Cas no 23394-16-3 (Cholest-5-en-3-ol (3b)-, 3,3'-decanedioate)

Cholest-5-en-3-ol (3b)-, 3,3'-decanedioate structure
23394-16-3 structure
Product Name:Cholest-5-en-3-ol (3b)-, 3,3'-decanedioate
CAS No:23394-16-3
MF:C64H106O4
MW:939.524060726166
CID:268612
PubChem ID:56843220
Update Time:2025-04-19

Cholest-5-en-3-ol (3b)-, 3,3'-decanedioate Chemical and Physical Properties

Names and Identifiers

    • Cholest-5-en-3-ol (3b)-, 3,3'-decanedioate
    • Bis(cholest-5-en-3beta-yl) sebacate
    • bis[(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] decanedioate
    • DTXSID901318944
    • 23394-16-3
    • SCHEMBL8608988
    • EINECS 245-633-5
    • NS00051413
    • Dicholesteryl sebacate
    • Inchi： 1S/C64H106O4/c1-43(2)19-17-21-45(5)53-29-31-55-51-27-25-47-41-49(33-37-61(47,7)57(51)35-39-63(53,55)9)67-59(65)23-15-13-11-12-14-16-24-60(66)68-50-34-38-62(8)48(42-50)26-28-52-56-32-30-54(46(6)22-18-20-44(3)4)64(56,10)40-36-58(52)62/h25-26,43-46,49-58H,11-24,27-42H2,1-10H3/t45-,46-,49+,50+,51+,52+,53-,54-,55+,56+,57+,58+,61+,62+,63-,64-/m1/s1
    • InChI Key： WUHFQANUEHARLW-VXOVUZAMSA-N
    • SMILES： O(C(CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(C1)=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]21)=O)[C@H]1CC[C@@]2(C)C(C1)=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]21

Computed Properties

  • Exact Mass: 938.80911186g/mol
  • Monoisotopic Mass: 938.80911186g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 68
  • Rotatable Bond Count: 23
  • Complexity: 1630
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 16
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 20.8
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • Density: 1.02
  • Boiling Point: 837.8°Cat760mmHg
  • Flash Point: 399.8°C
  • Refractive Index: 1.534

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