Cas no 110945-69-2 (Ergost-24(28)-en-3-ol,7,8:15,18:18,20-triepoxy-, (3b,5a,7b,15b,18S)-)

Ergost-24(28)-en-3-ol,7,8:15,18:18,20-triepoxy-, (3b,5a,7b,15b,18S)- structure
110945-69-2 structure
Product Name:Ergost-24(28)-en-3-ol,7,8:15,18:18,20-triepoxy-, (3b,5a,7b,15b,18S)-
CAS No:110945-69-2
MF:C28H42O4
MW:442.630689144135
CID:146393
PubChem ID:5748395
Update Time:2025-04-19

Ergost-24(28)-en-3-ol,7,8:15,18:18,20-triepoxy-, (3b,5a,7b,15b,18S)- Chemical and Physical Properties

Names and Identifiers

    • Ergost-24(28)-en-3-ol,7,8:15,18:18,20-triepoxy-, (3b,5a,7b,15b,18S)-
    • Paxisterol
    • (1S,3S,3aS,5R,5aS,5bS,6aS,7aR,9S,11aS,11bR)-3,11a-dimethyl-3-(4-methyl-3-methylidenepentyl)tetradecahydro-3H,6aH-1,5-epoxyoxireno[2',3']naphtho[2',1':4,5]indeno[1,7a-c]furan-9-ol
    • (3beta,5alpha,7beta,15beta,18S)-7,8:15,18:18,20-Triepoxyergost-24(28)-en-3-ol
    • 7,8:15,18:18,20-Triepoxyergost-24(28)-en-3-ol (3beta,5alpha,7beta,15beta,18S)-
    • Ergost-24(28)-en-3-ol, 7,8:15,18:18,20-triepoxy-, (3beta,5alpha,7beta,15beta,18S)-
    • DTXSID80911908
    • (1S,5R,6S,9S,11R,13S,15S,16S,17S,19S,21S)-6,21-dimethyl-21-(4-methyl-3-methylidenepentyl)-14,18,20-trioxaheptacyclo[15.4.1.02,16.02,19.05,15.06,11.013,15]docosan-9-ol
    • 110945-69-2
    • 3,11a-Dimethyl-3-(4-methyl-3-methylidenepentyl)tetradecahydro-1H,3H,6aH-1,5-epoxyoxireno[2',3']naphtho[2',1':4,5]indeno[1,7a-c]furan-9-ol
    • UCY 1003
    • Inchi： 1S/C28H42O4/c1-15(2)16(3)6-10-26(5)21-14-19-23-27(21,24(30-19)32-26)11-8-20-25(4)9-7-18(29)12-17(25)13-22-28(20,23)31-22/h15,17-24,29H,3,6-14H2,1-2,4-5H3/t17-,18+,19+,20-,21-,22+,23-,24+,25+,26+,27?,28-/m1/s1
    • InChI Key： WUKYEOQJBJKFPH-FWHSHOASSA-N
    • SMILES： O1[C@H]2C[C@H]3C[C@H](CC[C@]3(C)[C@H]3CCC45[C@@H]6O[C@@](C)(CCC(=C)C(C)C)[C@H]4C[C@@H]([C@H]5[C@@]132)O6)O

Computed Properties

  • Exact Mass: 442.30831
  • Monoisotopic Mass: 442.30831
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 4
  • Complexity: 854
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 11
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 51.2
  • XLogP3: 5.2

Experimental Properties

  • Density: 1.18
  • Boiling Point: 547°Cat760mmHg
  • Flash Point: 284.6°C
  • Refractive Index: 1.576

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