Cas no 1182-66-7 (Cholesteryl pelargonate)

Cholesteryl pelargonate structure
Cholesteryl pelargonate structure
Product Name:Cholesteryl pelargonate
CAS No:1182-66-7
MF:C36H62O2
MW:526.876291751862
MDL:MFCD00003643
CID:40964
PubChem ID:87573700
Update Time:2025-04-18

Cholesteryl pelargonate Chemical and Physical Properties

Names and Identifiers

    • Cholesteryl pelargonate
    • Cholesteryl nonanoate
    • 3beta-Hydroxy-5-cholestene 3-nonanoate
    • 5-Cholesten-3beta-ol 3-nonanoate
    • Cholesterol Pelargonate
    • 3β-Hydroxy-5-cholestene 3-nonanoate
    • 5-Cholesten-3β-ol 3-nonanoate
    • Cholesterol Nonanoate
    • CHOLESTERYL N-NONANOATE
    • Cholesteryl nonaonate
    • Cholesteryl nonylate
    • Cholesteryl pelagonate
    • Cholesterylpelargonat
    • n-Nonansaeure-cholesteryl-ester
    • Nonancarbonsaeurec
    • nonanoate
    • Nonanoic Acid Cholesterol Ester
    • Pelargonic Acid Cholesterol Ester
    • Cholesterol, nonanoate
    • WCLNGBQPTVENHV-MKQVXYPISA-N
    • 4313O7P4XW
    • Cholesteryl pelargonate, 99+%
    • GOnate
    • Cholesteryl pelar
    • Cholest-5-ene-3-beta-yl nonanoate
    • Cholesteryl pelargonate, 97%
    • SCHE
    • Cholesterol Pelargonate, >/=93%
    • MFCD00003643
    • AKOS015839906
    • YOFCO LC-CN
    • Cholest-5-en-3-ol (3beta)-, 3-nonanoate
    • DTXCID301028626
    • (3S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl nonanoate
    • CHOLESTERIN PELARGONATE
    • N0347
    • CHOLESTERYL NONANOATE [INCI]
    • Cholesterylpelargonate
    • Q5104326
    • Cholest-5-en-3-yl nonanoate #
    • EINECS 214-658-3
    • HY-W127350
    • 3beta-Hydroxy-5-cholestene 3-nonanoate, 5-Cholesten-3beta-ol 3-nonanoate, Cholesteryl nonanoate
    • W-108549
    • [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate
    • UNII-4313O7P4XW
    • 5-Cholesten-3beta-ol pelargonate
    • CS-0185588
    • 5-Cholesten-3.beta.-ol pelargonate
    • (3I(2))-cholest-5-en-3-yl nonanoate
    • DTXSID70889364
    • 1182-66-7
    • SCHEMBL140320
    • MDL: MFCD00003643
    • Inchi: 1S/C36H62O2/c1-7-8-9-10-11-12-16-34(37)38-29-21-23-35(5)28(25-29)17-18-30-32-20-19-31(27(4)15-13-14-26(2)3)36(32,6)24-22-33(30)35/h17,26-27,29-33H,7-16,18-25H2,1-6H3/t27-,29?,30?,31-,32?,33?,35+,36-/m1/s1
    • InChI Key: WCLNGBQPTVENHV-WYKOVRGBSA-N
    • SMILES: O(C(CCCCCCCC)=O)C1CC[C@@]2(C)C(C1)=CCC1C2CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CCC21
    • BRN: 3179820

Computed Properties

  • Exact Mass: 526.47500
  • Monoisotopic Mass: 526.475
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 38
  • Rotatable Bond Count: 14
  • Complexity: 797
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 8
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 26.3
  • Surface Charge: 0
  • XLogP3: 12.7

Experimental Properties

  • Color/Form: powder
  • Density: 0.9587 (rough estimate)
  • Melting Point: 74-77?°C (lit.)
  • Boiling Point: 360 oC
  • Flash Point: 300.8°C
  • Refractive Index: -24 ° (C=1, THF)
  • Water Partition Coefficient: Soluble in Chloroform, Tetrahydrofuran(THF). Insoluble in water.
  • PSA: 26.30000
  • LogP: 10.69020
  • Solubility: Insoluble
  • Specific Rotation: -30 o (c=2, CHCl3 25 oC)
  • Optical Activity: [α]25/D ?30°, c =?2 in chloroform
  • Vapor Pressure: 0.0±1.6 mmHg at 25°C

Cholesteryl pelargonate Security Information

Cholesteryl pelargonate Pricemore >>

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