Cas no 474-69-1 (Lumisterol)

Lumisterol structure
Lumisterol structure
Product Name:Lumisterol
CAS No:474-69-1
MF:C28H44O
MW:396.648368835449
CID:331286
PubChem ID:6436872
Update Time:2025-04-19

Lumisterol Chemical and Physical Properties

Names and Identifiers

    • Ergosta-5,7,22-trien-3-ol,(3b,9b,10a,22E)-
    • Lumisterol
    • (3β,9β,10α,22E)-Ergosta-5,7,22-trien-3-ol
    • cis,cis,cis-9,12,15-octadecatrienoyl chloride
    • CIS-LINOLENOYL CHLORIDE
    • linolenic acid chloride
    • Linolenoyl chloride,tech.
    • Linolensaeurechlorid
    • Lumisterol2
    • (3beta,9beta,10alpha,22E)-Ergosta-5,7,22-trien-3-ol
    • C19653
    • Ergosta-5,7,22-trien-3-ol, (3.beta.,9.beta.,10.alpha.,22E)-
    • UNII-170D11Q82N
    • (3.BETA.,9.BETA.,10.ALPHA.,22E)-ERGOSTA-5,7,22-TRIEN-3-OL
    • EINECS 207-487-0
    • 9.BETA.,10.ALPHA.-ERGOSTEROL
    • 9.beta.,10alpha-Ergosta-5,7,22-trien-3-ol
    • DNVPQKQSNYMLRS-YAPGYIAOSA-N
    • MS-26693
    • CS-0111415
    • LUMISTEROL [MI]
    • (3S,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
    • F82526
    • 9-beta,10-alpha-Ergosta-5,7,22-trien-3-beta-ol
    • 474-69-1
    • ERGOCALCIFEROL IMPURITY C [EP IMPURITY]
    • 170D11Q82N
    • DTXSID60878681
    • 9beta,10alpha-Ergosta-5,7,22-trien-3beta-ol
    • SCHEMBL157333
    • Q6703340
    • AKOS027326846
    • HY-N0181A
    • (22E)-9.BETA.,10.ALPHA.-ERGOSTA-5,7,22-TRIEN-3.BETA.-OL
    • EX-A3300
    • DTXCID601016723
    • ERGOCALCIFEROL IMPURITY C (EP IMPURITY)
    • ERGOSTA-5,7,22-TRIEN-3-OL, (3BETA,9BETA,10ALPHA,22E)-
    • 9BETA,10ALPHA-ERGOSTEROL
    • (22E)-9BETA,10ALPHA-ERGOSTA-5,7,22-TRIEN-3BETA-OL
    • Inchi: 1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26+,27+,28+/m0/s1
    • InChI Key: DNVPQKQSNYMLRS-YAPGYIAOSA-N
    • SMILES: O[C@H]1CC[C@]2(C)C(C1)=CC=C1[C@H]2CC[C@]2(C)[C@@H]([C@@H](/C=C/[C@H](C)C(C)C)C)CC[C@H]21

Computed Properties

  • Exact Mass: 396.33900
  • Monoisotopic Mass: 396.339216023g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 4
  • Complexity: 712
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 7.4
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • Density: 1.00±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 118-120 oC (ethanol )
  • Boiling Point: 460.3°C (rough estimate)
  • Refractive Index: 1.5100 (estimate)
  • Solubility: Insuluble (4.8E-6 g/L) (25 oC),
  • PSA: 20.23000
  • LogP: 7.33080
  • Specific Rotation: D19 +191.5°; 19546 +235.4° (c = 2 in acetone)

Lumisterol Security Information

Lumisterol Pricemore >>

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